2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one

C18H17Cl2N3O — CID 11100528

IUPAC2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H17Cl2N3O/c1-11(2)10-23-17(24)12-6-3-4-8-14(12)21-18(23)22-15-9-5-7-13(19)16(15)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyYSWNXULNKLDKEP-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.10
Rot. Bonds4

About 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one

2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 11100528) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one
PubChem CID11100528
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H17Cl2N3O/c1-11(2)10-23-17(24)12-6-3-4-8-14(12)21-18(23)22-15-9-5-7-13(19)16(15)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyYSWNXULNKLDKEP-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
CID 802442
2-anilino-3-propylquinazolin-4-one
CID 10901968
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 55576050
3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
CID 42712752
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
N-(2,5-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1075082
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
CID 74766058
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617
3-(2-methylpropyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 3635647

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one (CID 11100528) is 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one is CC(C)Cn1c(Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is YSWNXULNKLDKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-11(2)10-23-17(24)12-6-3-4-8-14(12)21-18(23)22-15-9-5-7-13(19)16(15)20/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one?
2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 362.26 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 11100528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).