2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol

C23H29ClN4O3 — CID 69186802

IUPAC2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NCC(C)C)cc23)cc1Cl
InChIInChI=1S/C23H29ClN4O3/c1-14(2)11-25-19-10-17-21(16(7-8-29)22(19)31-4)27-13-28-23(17)26-12-15-5-6-20(30-3)18(24)9-15/h5-6,9-10,13-14,25,29H,7-8,11-12H2,1-4H3,(H,26,27,28)
InChIKeyADXMVRZNUHGOFJ-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.52
Rot. Bonds10

About 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol

2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol (PubChem CID 69186802) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol
PubChem CID69186802
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NCC(C)C)cc23)cc1Cl
InChIInChI=1S/C23H29ClN4O3/c1-14(2)11-25-19-10-17-21(16(7-8-29)22(19)31-4)27-13-28-23(17)26-12-15-5-6-20(30-3)18(24)9-15/h5-6,9-10,13-14,25,29H,7-8,11-12H2,1-4H3,(H,26,27,28)
InChIKeyADXMVRZNUHGOFJ-UHFFFAOYSA-N
XLogP4.52
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol with MolForge

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Related Compounds

N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
CID 24810299
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide
CID 24810344
methanesulfonic acid;methyl N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-methylcarbamate
CID 53235210
N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methyl]cyclopropanecarboxamide
CID 69164564
(E)-but-2-enedioic acid;methyl N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-methylcarbamate
CID 53235137
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-8-propylquinazolin-6-yl]benzenesulfonamide
CID 24810654
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol?
The IUPAC name of 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol (CID 69186802) is 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol?
The canonical SMILES for 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol is COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NCC(C)C)cc23)cc1Cl.
What is the InChIKey of 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol?
The InChIKey is ADXMVRZNUHGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-14(2)11-25-19-10-17-21(16(7-8-29)22(19)31-4)27-13-28-23(17)26-12-15-5-6-20(30-3)18(24)9-15/h5-6,9-10,13-14,25,29H,7-8,11-12H2,1-4H3,(H,26,27,28).
What are the key properties of 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol?
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol has a molecular weight of 444.96 g/mol, XLogP of 4.52, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol is sourced from PubChem (CID 69186802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).