2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one

C14H12ClN3O — CID 57388817

IUPAC2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3cccc(Cl)c3)ncc21
InChIInChI=1S/C14H12ClN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyPSIUKUAVWWOLJH-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.39
Rot. Bonds2

About 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one

2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57388817) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57388817
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3cccc(Cl)c3)ncc21
InChIInChI=1S/C14H12ClN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyPSIUKUAVWWOLJH-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
10-(3-chlorophenyl)-6,8,9,10-tetrahydrobenzo(b)(1,8)-naphthyridine-5(7H)-one
CID 184227
4-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzenesulfonamide
CID 145950373
N-(3-chloro-2-methylphenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899661
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
7-(3-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 665827
2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
CID 878804
2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 57388817) is 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Nc3cccc(Cl)c3)ncc21.
What is the InChIKey of 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PSIUKUAVWWOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18).
What are the key properties of 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 273.72 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57388817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).