2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine

C16H14ClN3O2S — CID 146254293

IUPAC2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
SMILESCS(=O)(=O)c1ccccc1CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H14ClN3O2S/c1-23(21,22)14-9-5-2-6-11(14)10-18-15-12-7-3-4-8-13(12)19-16(17)20-15/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyJHCVIVQXLBQRFA-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine

2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine (PubChem CID 146254293) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
PubChem CID146254293
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
SMILESCS(=O)(=O)c1ccccc1CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H14ClN3O2S/c1-23(21,22)14-9-5-2-6-11(14)10-18-15-12-7-3-4-8-13(12)19-16(17)20-15/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyJHCVIVQXLBQRFA-UHFFFAOYSA-N
XLogP3.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 166327131
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine (CID 146254293) is 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine is CS(=O)(=O)c1ccccc1CNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine?
The InChIKey is JHCVIVQXLBQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-23(21,22)14-9-5-2-6-11(14)10-18-15-12-7-3-4-8-13(12)19-16(17)20-15/h2-9H,10H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine?
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine has a molecular weight of 347.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 146254293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).