2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine

C130H166N28O16 — CID 163597924

IUPAC2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCOCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3ccc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cncn3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H35N5O3.C28H34N6O3.C26H34N4O4.C24H32N6O3.C23H31N7O3/c1-35-26-19-23-24(20-27(26)37-16-6-14-33-12-4-5-13-33)31-29(32-28(23)30-22-10-17-36-18-11-22)34-15-9-21-7-2-3-8-25(21)34;1-35-25-17-21-23(18-26(25)37-14-6-13-33-11-4-5-12-33)31-28(32-27(21)30-20-9-15-36-16-10-20)34-19-29-22-7-2-3-8-24(22)34;1-18-6-7-22(34-18)26-28-21-17-24(33-13-5-12-30-10-3-4-11-30)23(31-2)16-20(21)25(29-26)27-19-8-14-32-15-9-19;1-31-21-16-19-20(17-22(21)33-13-5-11-29-9-2-3-10-29)27-24(30-12-4-8-25-30)28-23(19)26-18-6-14-32-15-7-18;1-31-20-13-18-19(14-21(20)33-10-4-9-29-7-2-3-8-29)27-23(30-16-24-15-25-30)28-22(18)26-17-5-11-32-12-6-17/h2-3,7-9,15,19-20,22H,4-6,10-14,16-18H2,1H3,(H,30,31,32);2-3,7-8,17-20H,4-6,9-16H2,1H3,(H,30,31,32);6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,27,28,29);4,8,12,16-18H,2-3,5-7,9-11,13-15H2,1H3,(H,26,27,28);13-17H,2-12H2,1H3,(H,26,27,28)
InChIKeyGVCCYNOLFJYSCR-UHFFFAOYSA-N
MW2376.94 g/mol
LogP20.09
Rot. Bonds45

About 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine

2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine (PubChem CID 163597924) has the molecular formula C130H166N28O16 and a molecular weight of 2376.94 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine
PubChem CID163597924
Molecular FormulaC130H166N28O16
Molecular Weight2376.94 g/mol
Exact Mass2375.30
IUPAC Name2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine
SMILESCOc1cc2c(NC3CCOCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3ccc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cncn3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H35N5O3.C28H34N6O3.C26H34N4O4.C24H32N6O3.C23H31N7O3/c1-35-26-19-23-24(20-27(26)37-16-6-14-33-12-4-5-13-33)31-29(32-28(23)30-22-10-17-36-18-11-22)34-15-9-21-7-2-3-8-25(21)34;1-35-25-17-21-23(18-26(25)37-14-6-13-33-11-4-5-12-33)31-28(32-27(21)30-20-9-15-36-16-10-20)34-19-29-22-7-2-3-8-24(22)34;1-18-6-7-22(34-18)26-28-21-17-24(33-13-5-12-30-10-3-4-11-30)23(31-2)16-20(21)25(29-26)27-19-8-14-32-15-9-19;1-31-21-16-19-20(17-22(21)33-13-5-11-29-9-2-3-10-29)27-24(30-12-4-8-25-30)28-23(19)26-18-6-14-32-15-7-18;1-31-20-13-18-19(14-21(20)33-10-4-9-29-7-2-3-8-29)27-23(30-16-24-15-25-30)28-22(18)26-17-5-11-32-12-6-17/h2-3,7-9,15,19-20,22H,4-6,10-14,16-18H2,1H3,(H,30,31,32);2-3,7-8,17-20H,4-6,9-16H2,1H3,(H,30,31,32);6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,27,28,29);4,8,12,16-18H,2-3,5-7,9-11,13-15H2,1H3,(H,26,27,28);13-17H,2-12H2,1H3,(H,26,27,28)
InChIKeyGVCCYNOLFJYSCR-UHFFFAOYSA-N
XLogP20.09
TPSA428.12 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds45
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.94
LogP ≤ 520.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine?
The IUPAC name of 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine (CID 163597924) is 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine is COc1cc2c(NC3CCOCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3ccc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-n3cncn3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine?
The InChIKey is GVCCYNOLFJYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3.C28H34N6O3.C26H34N4O4.C24H32N6O3.C23H31N7O3/c1-35-26-19-23-24(20-27(26)37-16-6-14-33-12-4-5-13-33)31-29(32-28(23)30-22-10-17-36-18-11-22)34-15-9-21-7-2-3-8-25(21)34;1-35-25-17-21-23(18-26(25)37-14-6-13-33-11-4-5-12-33)31-28(32-27(21)30-20-9-15-36-16-10-20)34-19-29-22-7-2-3-8-24(22)34;1-18-6-7-22(34-18)26-28-21-17-24(33-13-5-12-30-10-3-4-11-30)23(31-2)16-20(21)25(29-26)27-19-8-14-32-15-9-19;1-31-21-16-19-20(17-22(21)33-13-5-11-29-9-2-3-10-29)27-24(30-12-4-8-25-30)28-23(19)26-18-6-14-32-15-7-18;1-31-20-13-18-19(14-21(20)33-10-4-9-29-7-2-3-8-29)27-23(30-16-24-15-25-30)28-22(18)26-17-5-11-32-12-6-17/h2-3,7-9,15,19-20,22H,4-6,10-14,16-18H2,1H3,(H,30,31,32);2-3,7-8,17-20H,4-6,9-16H2,1H3,(H,30,31,32);6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,27,28,29);4,8,12,16-18H,2-3,5-7,9-11,13-15H2,1H3,(H,26,27,28);13-17H,2-12H2,1H3,(H,26,27,28).
What are the key properties of 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine?
2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine has a molecular weight of 2376.94 g/mol, XLogP of 20.09, 45 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine is sourced from PubChem (CID 163597924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).