(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline

C80H82Cl2F3N19O9 — CID 159690858

IUPAC(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(OCc5cc(Cl)cc(Cl)c5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C29H33N7O3.C26H25F3N6O3.C25H24Cl2N6O3/c1-37-26-15-25-24(14-27(26)39-19-23-18-30-7-12-38-23)28(34-20-33-25)35-8-10-36(11-9-35)29-31-16-22(17-32-29)13-21-5-3-2-4-6-21;1-36-22-11-20-21(12-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-13-19(14-31-25)38-15-17-3-5-18(6-4-17)26(27,28)29;1-34-22-10-20-21(11-23(22)35-2)30-15-31-24(20)32-3-5-33(6-4-32)25-28-12-19(13-29-25)36-14-16-7-17(26)9-18(27)8-16/h2-6,14-17,20,23,30H,7-13,18-19H2,1H3;3-6,11-14,16H,7-10,15H2,1-2H3;7-13,15H,3-6,14H2,1-2H3/t23-;;/m1../s1
InChIKeyMWJVDKDGFNVAHN-MQWQBNKOSA-N
MW1581.56 g/mol
LogP11.72
Rot. Bonds22

About (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline

(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline (PubChem CID 159690858) has the molecular formula C80H82Cl2F3N19O9 and a molecular weight of 1581.56 g/mol. Its IUPAC name is (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline
PubChem CID159690858
Molecular FormulaC80H82Cl2F3N19O9
Molecular Weight1581.56 g/mol
Exact Mass1579.59
IUPAC Name(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(OCc5cc(Cl)cc(Cl)c5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C29H33N7O3.C26H25F3N6O3.C25H24Cl2N6O3/c1-37-26-15-25-24(14-27(26)39-19-23-18-30-7-12-38-23)28(34-20-33-25)35-8-10-36(11-9-35)29-31-16-22(17-32-29)13-21-5-3-2-4-6-21;1-36-22-11-20-21(12-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-13-19(14-31-25)38-15-17-3-5-18(6-4-17)26(27,28)29;1-34-22-10-20-21(11-23(22)35-2)30-15-31-24(20)32-3-5-33(6-4-32)25-28-12-19(13-29-25)36-14-16-7-17(26)9-18(27)8-16/h2-6,14-17,20,23,30H,7-13,18-19H2,1H3;3-6,11-14,16H,7-10,15H2,1-2H3;7-13,15H,3-6,14H2,1-2H3/t23-;;/m1../s1
InChIKeyMWJVDKDGFNVAHN-MQWQBNKOSA-N
XLogP11.72
TPSA269.22 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001581.56
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

Anilinoquinazoline deriv. 28
CID 5329026
N-[(6-chloro-3-pyridinyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10187699
2-(5-{[(2S)-2-Amino-3-(3-chlorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 25060411
2-(5-{[(2S)-2-Amino-3-(2-chlorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 46193131
2-(5-{[(2S)-2-Amino-3-(3,4-dichlorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 46193132
N-(3-chloro-4-fluorophenyl)-6,7-bis(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141515877
N-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394665
N-[(2-chloro-4-pyridinyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394704
N-(6-chloro-3-pyridinyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394745
N-[(6-chloro-3-pyridinyl)methyl]-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394760
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid 4-pyridin-4-yl-benzylamide
CID 10188863
7-[[1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]ethyl]piperidin-4-yl]methoxy]-N-(3-phenylpropyl)quinazolin-4-amine
CID 117967504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline (CID 159690858) is (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline is COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OC[C@H]1CNCCO1.COc1cc2ncnc(N3CCN(c4ncc(OCc5cc(Cl)cc(Cl)c5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.
What is the InChIKey of (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is MWJVDKDGFNVAHN-MQWQBNKOSA-N. The full InChI is InChI=1S/C29H33N7O3.C26H25F3N6O3.C25H24Cl2N6O3/c1-37-26-15-25-24(14-27(26)39-19-23-18-30-7-12-38-23)28(34-20-33-25)35-8-10-36(11-9-35)29-31-16-22(17-32-29)13-21-5-3-2-4-6-21;1-36-22-11-20-21(12-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-13-19(14-31-25)38-15-17-3-5-18(6-4-17)26(27,28)29;1-34-22-10-20-21(11-23(22)35-2)30-15-31-24(20)32-3-5-33(6-4-32)25-28-12-19(13-29-25)36-14-16-7-17(26)9-18(27)8-16/h2-6,14-17,20,23,30H,7-13,18-19H2,1H3;3-6,11-14,16H,7-10,15H2,1-2H3;7-13,15H,3-6,14H2,1-2H3/t23-;;/m1../s1.
What are the key properties of (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline?
(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 1581.56 g/mol, XLogP of 11.72, 22 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 159690858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).