2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile

C16H11ClN4O — CID 175390232

IUPAC2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
SMILESCOc1ccc2c(Nc3ccc(C#N)c(Cl)c3)ncnc2c1
InChIInChI=1S/C16H11ClN4O/c1-22-12-4-5-13-15(7-12)19-9-20-16(13)21-11-3-2-10(8-18)14(17)6-11/h2-7,9H,1H3,(H,19,20,21)
InChIKeyGQLFIZLNUUMFFQ-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile

2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile (PubChem CID 175390232) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
PubChem CID175390232
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
SMILESCOc1ccc2c(Nc3ccc(C#N)c(Cl)c3)ncnc2c1
InChIInChI=1S/C16H11ClN4O/c1-22-12-4-5-13-15(7-12)19-9-20-16(13)21-11-3-2-10(8-18)14(17)6-11/h2-7,9H,1H3,(H,19,20,21)
InChIKeyGQLFIZLNUUMFFQ-UHFFFAOYSA-N
XLogP3.91
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
CID 154673012
2-(3-chloro-4-methoxyanilino)-7-methoxyquinoline-3-carbonitrile
CID 5164967
4-(3-bromo-5-methoxyanilino)-2-chlorobenzonitrile
CID 82867818
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674
N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine;2-hydroxyacetic acid
CID 175292977
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile?
The IUPAC name of 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile (CID 175390232) is 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile is COc1ccc2c(Nc3ccc(C#N)c(Cl)c3)ncnc2c1.
What is the InChIKey of 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile?
The InChIKey is GQLFIZLNUUMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-22-12-4-5-13-15(7-12)19-9-20-16(13)21-11-3-2-10(8-18)14(17)6-11/h2-7,9H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile?
2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile has a molecular weight of 310.74 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile is sourced from PubChem (CID 175390232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).