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

C20H23ClN4O5S — CID 24810344

IUPACN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(C)(=O)=O)cc23)cc1Cl
InChIInChI=1S/C20H23ClN4O5S/c1-29-17-5-4-12(8-15(17)21)10-22-20-14-9-16(25-31(3,27)28)19(30-2)13(6-7-26)18(14)23-11-24-20/h4-5,8-9,11,25-26H,6-7,10H2,1-3H3,(H,22,23,24)
InChIKeyXRVGSIGUKZJRCJ-UHFFFAOYSA-N
MW466.95 g/mol
LogP2.82
Rot. Bonds9

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

N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide (PubChem CID 24810344) has the molecular formula C20H23ClN4O5S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide
PubChem CID24810344
Molecular FormulaC20H23ClN4O5S
Molecular Weight466.95 g/mol
Exact Mass466.11
IUPAC NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide
SMILESCOc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(C)(=O)=O)cc23)cc1Cl
InChIInChI=1S/C20H23ClN4O5S/c1-29-17-5-4-12(8-15(17)21)10-22-20-14-9-16(25-31(3,27)28)19(30-2)13(6-7-26)18(14)23-11-24-20/h4-5,8-9,11,25-26H,6-7,10H2,1-3H3,(H,22,23,24)
InChIKeyXRVGSIGUKZJRCJ-UHFFFAOYSA-N
XLogP2.82
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide with MolForge

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Related Compounds

2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-6-(2-methylpropylamino)quinazolin-8-yl]ethanol
CID 69186802
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
CID 24810299
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]-7-methoxy-8-propylquinazolin-6-yl]benzenesulfonamide
CID 24810654
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-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]-6-nitrothieno[2,3-d]pyrimidin-4-amine
CID 142684119
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide (CID 24810344) is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide is COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(C)(=O)=O)cc23)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide?
The InChIKey is XRVGSIGUKZJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O5S/c1-29-17-5-4-12(8-15(17)21)10-22-20-14-9-16(25-31(3,27)28)19(30-2)13(6-7-26)18(14)23-11-24-20/h4-5,8-9,11,25-26H,6-7,10H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide?
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]methanesulfonamide has a molecular weight of 466.95 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 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]methanesulfonamide is sourced from PubChem (CID 24810344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).