2-(3,5-dimethylanilino)-3H-quinazolin-4-one

C16H15N3O — CID 135439663

IUPAC2-(3,5-dimethylanilino)-3H-quinazolin-4-one
SMILESCc1cc(C)cc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)9-12(8-10)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyATDOTJMIOGCMSL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.28
Rot. Bonds2

About 2-(3,5-dimethylanilino)-3H-quinazolin-4-one

2-(3,5-dimethylanilino)-3H-quinazolin-4-one (PubChem CID 135439663) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-3H-quinazolin-4-one
PubChem CID135439663
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,5-dimethylanilino)-3H-quinazolin-4-one
SMILESCc1cc(C)cc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)9-12(8-10)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyATDOTJMIOGCMSL-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135449223
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dimethylanilino)-3H-quinazolin-4-one (CID 135439663) is 2-(3,5-dimethylanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dimethylanilino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dimethylanilino)-3H-quinazolin-4-one is Cc1cc(C)cc(Nc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-3H-quinazolin-4-one?
The InChIKey is ATDOTJMIOGCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-11(2)9-12(8-10)17-16-18-14-6-4-3-5-13(14)15(20)19-16/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(3,5-dimethylanilino)-3H-quinazolin-4-one?
2-(3,5-dimethylanilino)-3H-quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 135439663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).