6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one

C14H10Cl2N4O — CID 136808641

IUPAC6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c(=O)c2c1
InChIInChI=1S/C14H10Cl2N4O/c15-9-2-1-3-11(12(9)16)19-14-18-10-5-4-7(17)6-8(10)13(21)20-14/h1-6H,17H2,(H2,18,19,20,21)
InChIKeyIFLGVWAPONJXHU-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.56
Rot. Bonds2

About 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one

6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one (PubChem CID 136808641) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
PubChem CID136808641
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c(=O)c2c1
InChIInChI=1S/C14H10Cl2N4O/c15-9-2-1-3-11(12(9)16)19-14-18-10-5-4-7(17)6-8(10)13(21)20-14/h1-6H,17H2,(H2,18,19,20,21)
InChIKeyIFLGVWAPONJXHU-UHFFFAOYSA-N
XLogP3.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one
CID 136808611
6-amino-2-(2-chloro-5-fluoroanilino)-3H-quinazolin-4-one
CID 136857307
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
CID 136808564
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
CID 43450981
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136808817
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
6-amino-2-[(2-methylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136808573

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one (CID 136808641) is 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one is Nc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one?
The InChIKey is IFLGVWAPONJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-9-2-1-3-11(12(9)16)19-14-18-10-5-4-7(17)6-8(10)13(21)20-14/h1-6H,17H2,(H2,18,19,20,21).
What are the key properties of 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one?
6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one has a molecular weight of 321.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 136808641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).