N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide

C24H27ClN4O4 — CID 69164564

IUPACN-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(CNC(=O)C4CC4)cc23)cc1Cl
InChIInChI=1S/C24H27ClN4O4/c1-32-20-6-3-14(9-19(20)25)11-26-23-18-10-16(12-27-24(31)15-4-5-15)22(33-2)17(7-8-30)21(18)28-13-29-23/h3,6,9-10,13,15,30H,4-5,7-8,11-12H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyQXAMVESWJRVXCU-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.47
Rot. Bonds10

About N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide

N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide (PubChem CID 69164564) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide
PubChem CID69164564
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC NameN-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(CNC(=O)C4CC4)cc23)cc1Cl
InChIInChI=1S/C24H27ClN4O4/c1-32-20-6-3-14(9-19(20)25)11-26-23-18-10-16(12-27-24(31)15-4-5-15)22(33-2)17(7-8-30)21(18)28-13-29-23/h3,6,9-10,13,15,30H,4-5,7-8,11-12H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyQXAMVESWJRVXCU-UHFFFAOYSA-N
XLogP3.47
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide (CID 69164564) is N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide is COc1ccc(CNc2ncnc3c(CCO)c(OC)c(CNC(=O)C4CC4)cc23)cc1Cl.
What is the InChIKey of N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QXAMVESWJRVXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-32-20-6-3-14(9-19(20)25)11-26-23-18-10-16(12-27-24(31)15-4-5-15)22(33-2)17(7-8-30)21(18)28-13-29-23/h3,6,9-10,13,15,30H,4-5,7-8,11-12H2,1-2H3,(H,27,31)(H,26,28,29).
What are the key properties of N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide?
N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide has a molecular weight of 470.96 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 69164564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).