2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

C20H21ClN4O5S — CID 85473005

IUPAC2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1OC
InChIInChI=1S/C20H21ClN4O5S/c1-28-17-11-15-16(12-18(17)29-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)31(26,27)25-7-9-30-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyZMNFIUYDSLSCEC-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.06
Rot. Bonds6

About 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (PubChem CID 85473005) has the molecular formula C20H21ClN4O5S and a molecular weight of 464.93 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
PubChem CID85473005
Molecular FormulaC20H21ClN4O5S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC Name2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1OC
InChIInChI=1S/C20H21ClN4O5S/c1-28-17-11-15-16(12-18(17)29-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)31(26,27)25-7-9-30-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyZMNFIUYDSLSCEC-UHFFFAOYSA-N
XLogP3.06
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
CID 85473009
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
CID 89260405
CID 89260405
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 22693234
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-hydroxybenzenesulfonic acid
CID 22693033
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 174467108
N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71663311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (CID 85473005) is 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The InChIKey is ZMNFIUYDSLSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5S/c1-28-17-11-15-16(12-18(17)29-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)31(26,27)25-7-9-30-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine has a molecular weight of 464.93 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is sourced from PubChem (CID 85473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).