1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol

C69H84ClN15O7 — CID 162134022

IUPAC1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cn3c(N)nc4ccccc4c3n2)CC1.CC1(O)CCNCC1.COc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1
InChIInChI=1S/C26H31N5O3.C20H19ClN4O2.C17H21N5O.C6H13NO/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3;1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20;1-17(23)6-8-21(9-7-17)10-12-11-22-15(19-12)13-4-2-3-5-14(13)20-16(22)18;1-6(8)2-4-7-5-3-6/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29);3-9,12H,10-11H2,1-2H3,(H,22,24);2-5,11,23H,6-10H2,1H3,(H2,18,20);7-8H,2-5H2,1H3
InChIKeyZJALKIIXBPGMKP-UHFFFAOYSA-N
MW1270.98 g/mol
LogP10.04
Rot. Bonds15

About 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol

1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol (PubChem CID 162134022) has the molecular formula C69H84ClN15O7 and a molecular weight of 1270.98 g/mol. Its IUPAC name is 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol
PubChem CID162134022
Molecular FormulaC69H84ClN15O7
Molecular Weight1270.98 g/mol
Exact Mass1269.64
IUPAC Name1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cn3c(N)nc4ccccc4c3n2)CC1.CC1(O)CCNCC1.COc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1
InChIInChI=1S/C26H31N5O3.C20H19ClN4O2.C17H21N5O.C6H13NO/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3;1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20;1-17(23)6-8-21(9-7-17)10-12-11-22-15(19-12)13-4-2-3-5-14(13)20-16(22)18;1-6(8)2-4-7-5-3-6/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29);3-9,12H,10-11H2,1-2H3,(H,22,24);2-5,11,23H,6-10H2,1H3,(H2,18,20);7-8H,2-5H2,1H3
InChIKeyZJALKIIXBPGMKP-UHFFFAOYSA-N
XLogP10.04
TPSA256.77 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001270.98
LogP ≤ 510.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol with MolForge

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Related Compounds

2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
CID 138689401
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(E)-2-phenylethenyl]imidazo[1,2-c]quinazolin-5-amine
CID 138689459
[3-[2-[(2,4-Dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 158342539
2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-N-[(Z)-3-methylpent-2-enyl]pyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
CID 158557046
2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
CID 158797231
2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol;[3-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenyl] trifluoromethanesulfonate;N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;(3-hydroxyphenyl)boronic acid;pyridin-3-ylboronic acid;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 161515989
[2-(Chloromethyl)-5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-9-yl]oxy-(3-hydroxyphenyl)borinic acid
CID 173922943
Tert-butyl 4-[5-(cyclobutadienyl)-2-[7-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaen-12-yl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 118388127
(3S)-3-[[2-amino-5-[[3-[2-[[2-amino-5-[[5-[4-[[2-amino-5-[(2,6-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butyl]-2-methoxyphenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethoxymethyl]-5-methoxyphenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 126596166
2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
CID 138689640
1-[[5-[(2,4-Dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol
CID 138689661
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine
CID 138721226

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol?
The IUPAC name of 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol (CID 162134022) is 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol is CC1(O)CCN(Cc2cn3c(N)nc4ccccc4c3n2)CC1.CC1(O)CCNCC1.COc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1.
What is the InChIKey of 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol?
The InChIKey is ZJALKIIXBPGMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3.C20H19ClN4O2.C17H21N5O.C6H13NO/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3;1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20;1-17(23)6-8-21(9-7-17)10-12-11-22-15(19-12)13-4-2-3-5-14(13)20-16(22)18;1-6(8)2-4-7-5-3-6/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29);3-9,12H,10-11H2,1-2H3,(H,22,24);2-5,11,23H,6-10H2,1H3,(H2,18,20);7-8H,2-5H2,1H3.
What are the key properties of 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol?
1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol has a molecular weight of 1270.98 g/mol, XLogP of 10.04, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoimidazo[1,2-c]quinazolin-2-yl)methyl]-4-methylpiperidin-4-ol;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol;4-methylpiperidin-4-ol is sourced from PubChem (CID 162134022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).