9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride

C120H136Cl3N33O2 — CID 167585358

IUPAC9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride
SMILESCc1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.Cc1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1.Cc1nc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ccc1N1CCNCC1.Cl.Cl.Cl.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.c1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1
InChIInChI=1S/C25H29N7.2C24H27N7.C24H26N6O.C23H24N6O.3ClH/c1-17-14-22(27-16-21(17)31-12-9-26-10-13-31)29-25-28-15-19-7-6-18-8-11-32(20-4-2-3-5-20)24(18)23(19)30-25;1-16-20(30-13-10-25-11-14-30)7-8-21(27-16)28-24-26-15-18-6-5-17-9-12-31(19-3-2-4-19)23(17)22(18)29-24;1-2-4-19(3-1)31-12-9-17-5-6-18-15-27-24(29-22(18)23(17)31)28-21-8-7-20(16-26-21)30-13-10-25-11-14-30;1-16-13-21(25-15-20(16)29-9-11-31-12-10-29)27-24-26-14-18-6-5-17-7-8-30(19-3-2-4-19)23(17)22(18)28-24;1-2-18(3-1)29-9-8-16-4-5-17-14-25-23(27-21(17)22(16)29)26-20-7-6-19(15-24-20)28-10-12-30-13-11-28;;;/h6-8,11,14-16,20,26H,2-5,9-10,12-13H2,1H3,(H,27,28,29,30);5-9,12,15,19,25H,2-4,10-11,13-14H2,1H3,(H,26,27,28,29);5-9,12,15-16,19,25H,1-4,10-11,13-14H2,(H,26,27,28,29);5-8,13-15,19H,2-4,9-12H2,1H3,(H,25,26,27,28);4-9,14-15,18H,1-3,10-13H2,(H,24,25,26,27);3*1H
InChIKeyDGGMWSHDOHZRNR-UHFFFAOYSA-N
MW2179.00 g/mol
LogP23.11
Rot. Bonds20

About 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride

9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride (PubChem CID 167585358) has the molecular formula C120H136Cl3N33O2 and a molecular weight of 2179.00 g/mol. Its IUPAC name is 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride.

Molecular Properties

Compound Name9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride
PubChem CID167585358
Molecular FormulaC120H136Cl3N33O2
Molecular Weight2179.00 g/mol
Exact Mass2176.06
IUPAC Name9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride
SMILESCc1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.Cc1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1.Cc1nc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ccc1N1CCNCC1.Cl.Cl.Cl.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.c1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1
InChIInChI=1S/C25H29N7.2C24H27N7.C24H26N6O.C23H24N6O.3ClH/c1-17-14-22(27-16-21(17)31-12-9-26-10-13-31)29-25-28-15-19-7-6-18-8-11-32(20-4-2-3-5-20)24(18)23(19)30-25;1-16-20(30-13-10-25-11-14-30)7-8-21(27-16)28-24-26-15-18-6-5-17-9-12-31(19-3-2-4-19)23(17)22(18)29-24;1-2-4-19(3-1)31-12-9-17-5-6-18-15-27-24(29-22(18)23(17)31)28-21-8-7-20(16-26-21)30-13-10-25-11-14-30;1-16-13-21(25-15-20(16)29-9-11-31-12-10-29)27-24-26-14-18-6-5-17-7-8-30(19-3-2-4-19)23(17)22(18)28-24;1-2-18(3-1)29-9-8-16-4-5-17-14-25-23(27-21(17)22(16)29)26-20-7-6-19(15-24-20)28-10-12-30-13-11-28;;;/h6-8,11,14-16,20,26H,2-5,9-10,12-13H2,1H3,(H,27,28,29,30);5-9,12,15,19,25H,2-4,10-11,13-14H2,1H3,(H,26,27,28,29);5-9,12,15-16,19,25H,1-4,10-11,13-14H2,(H,26,27,28,29);5-8,13-15,19H,2-4,9-12H2,1H3,(H,25,26,27,28);4-9,14-15,18H,1-3,10-13H2,(H,24,25,26,27);3*1H
InChIKeyDGGMWSHDOHZRNR-UHFFFAOYSA-N
XLogP23.11
TPSA348.90 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.00
LogP ≤ 523.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride with MolForge

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Related Compounds

(R)-N-(1-Morpholinopropan-2-yl)-6-(8-(pyridin-4-yl)-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 132587462
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134146432
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134149230
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylazetidin-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157498070
N-[5-[(1-cyclopropylpiperidin-4-ylidene)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158030610
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;7-benzyl-6-methylidene-2-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 158354929
3-Cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-4-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 158861191
CID 159079625
CID 159079625
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;1-benzyl-2-methylidene-6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-4-amine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-6-methylidene-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 159166076
3-Cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-3-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159610356
Bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159760696
N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 160186876

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride?
The IUPAC name of 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride (CID 167585358) is 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride.
What is the SMILES notation for 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride?
The canonical SMILES for 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride is Cc1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.Cc1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1.Cc1nc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ccc1N1CCNCC1.Cl.Cl.Cl.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCOCC1.c1cc(Nc2ncc3ccc4ccn(C5CCCC5)c4c3n2)ncc1N1CCNCC1.
What is the InChIKey of 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride?
The InChIKey is DGGMWSHDOHZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7.2C24H27N7.C24H26N6O.C23H24N6O.3ClH/c1-17-14-22(27-16-21(17)31-12-9-26-10-13-31)29-25-28-15-19-7-6-18-8-11-32(20-4-2-3-5-20)24(18)23(19)30-25;1-16-20(30-13-10-25-11-14-30)7-8-21(27-16)28-24-26-15-18-6-5-17-9-12-31(19-3-2-4-19)23(17)22(18)29-24;1-2-4-19(3-1)31-12-9-17-5-6-18-15-27-24(29-22(18)23(17)31)28-21-8-7-20(16-26-21)30-13-10-25-11-14-30;1-16-13-21(25-15-20(16)29-9-11-31-12-10-29)27-24-26-14-18-6-5-17-7-8-30(19-3-2-4-19)23(17)22(18)28-24;1-2-18(3-1)29-9-8-16-4-5-17-14-25-23(27-21(17)22(16)29)26-20-7-6-19(15-24-20)28-10-12-30-13-11-28;;;/h6-8,11,14-16,20,26H,2-5,9-10,12-13H2,1H3,(H,27,28,29,30);5-9,12,15,19,25H,2-4,10-11,13-14H2,1H3,(H,26,27,28,29);5-9,12,15-16,19,25H,1-4,10-11,13-14H2,(H,26,27,28,29);5-8,13-15,19H,2-4,9-12H2,1H3,(H,25,26,27,28);4-9,14-15,18H,1-3,10-13H2,(H,24,25,26,27);3*1H.
What are the key properties of 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride?
9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride has a molecular weight of 2179.00 g/mol, XLogP of 23.11, 20 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride is sourced from PubChem (CID 167585358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).