N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine

C16H14ClN3O — CID 163979167

IUPACN-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1C
InChIInChI=1S/C16H14ClN3O/c1-10-6-13-14(8-15(10)21-2)18-9-19-16(13)20-12-5-3-4-11(17)7-12/h3-9H,1-2H3,(H,18,19,20)
InChIKeySWVNKUXUBHSAIQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.34
Rot. Bonds3

About N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine

N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine (PubChem CID 163979167) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
PubChem CID163979167
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1C
InChIInChI=1S/C16H14ClN3O/c1-10-6-13-14(8-15(10)21-2)18-9-19-16(13)20-12-5-3-4-11(17)7-12/h3-9H,1-2H3,(H,18,19,20)
InChIKeySWVNKUXUBHSAIQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 58617026
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
N-(3-ethynyl-4-fluorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 58172595
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
CID 122485483

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine (CID 163979167) is N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1C.
What is the InChIKey of N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine?
The InChIKey is SWVNKUXUBHSAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-13-14(8-15(10)21-2)18-9-19-16(13)20-12-5-3-4-11(17)7-12/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine?
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine is sourced from PubChem (CID 163979167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).