7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one

C14H7Cl4N3O — CID 162391536

IUPAC7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccc(Cl)c(Cl)c2)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H7Cl4N3O/c15-8-3-1-6(5-10(8)17)19-14-20-12-7(13(22)21-14)2-4-9(16)11(12)18/h1-5H,(H2,19,20,21,22)
InChIKeyRYZYNVPQKHQFNH-UHFFFAOYSA-N
MW375.04 g/mol
LogP5.28
Rot. Bonds2

About 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one

7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one (PubChem CID 162391536) has the molecular formula C14H7Cl4N3O and a molecular weight of 375.04 g/mol. Its IUPAC name is 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
PubChem CID162391536
Molecular FormulaC14H7Cl4N3O
Molecular Weight375.04 g/mol
Exact Mass372.93
IUPAC Name7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccc(Cl)c(Cl)c2)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H7Cl4N3O/c15-8-3-1-6(5-10(8)17)19-14-20-12-7(13(22)21-14)2-4-9(16)11(12)18/h1-5H,(H2,19,20,21,22)
InChIKeyRYZYNVPQKHQFNH-UHFFFAOYSA-N
XLogP5.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.04
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
2-(3,4-dichloroanilino)-8-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-3H-quinazoline-8-carbonyl]-6-nitro-3H-quinazolin-4-one
CID 136508635
2-(3,4-dichloroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612058
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
CID 162391518
2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one
CID 162391500
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
2-(3,4-dichloroanilino)-8-[(E)-2-(4-hydroxy-2-methoxyphenyl)ethenyl]-6-nitro-3H-quinazolin-4-one
CID 135833361
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one?
The IUPAC name of 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one (CID 162391536) is 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one?
The canonical SMILES for 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one is O=c1[nH]c(Nc2ccc(Cl)c(Cl)c2)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one?
The InChIKey is RYZYNVPQKHQFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4N3O/c15-8-3-1-6(5-10(8)17)19-14-20-12-7(13(22)21-14)2-4-9(16)11(12)18/h1-5H,(H2,19,20,21,22).
What are the key properties of 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one?
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one has a molecular weight of 375.04 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 162391536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).