3-anilino-2-chloroquinazolin-4-one

C14H10ClN3O — CID 141230823

IUPAC3-anilino-2-chloroquinazolin-4-one
SMILESO=c1c2ccccc2nc(Cl)n1Nc1ccccc1
InChIInChI=1S/C14H10ClN3O/c15-14-16-12-9-5-4-8-11(12)13(19)18(14)17-10-6-2-1-3-7-10/h1-9,17H
InChIKeyVCSUUNCQURRXPW-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.93
Rot. Bonds2

About 3-anilino-2-chloroquinazolin-4-one

3-anilino-2-chloroquinazolin-4-one (PubChem CID 141230823) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-anilino-2-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-anilino-2-chloroquinazolin-4-one
PubChem CID141230823
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-anilino-2-chloroquinazolin-4-one
SMILESO=c1c2ccccc2nc(Cl)n1Nc1ccccc1
InChIInChI=1S/C14H10ClN3O/c15-14-16-12-9-5-4-8-11(12)13(19)18(14)17-10-6-2-1-3-7-10/h1-9,17H
InChIKeyVCSUUNCQURRXPW-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
3-anilino-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 17415489
3-anilino-2-but-3-ynyl-7-chloroquinazolin-4-one
CID 89219972
3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide
CID 165388803
3-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-4-oxoquinazoline-2-carboxamide
CID 165388811
2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 17420196
3-butoxy-2-chloroquinazolin-4-one
CID 70145328
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
CID 1257433
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
N-(3-chlorophenyl)-2-[(4-oxo-2-phenylquinazolin-3-yl)amino]acetamide
CID 10386527

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-chloroquinazolin-4-one?
The IUPAC name of 3-anilino-2-chloroquinazolin-4-one (CID 141230823) is 3-anilino-2-chloroquinazolin-4-one.
What is the SMILES notation for 3-anilino-2-chloroquinazolin-4-one?
The canonical SMILES for 3-anilino-2-chloroquinazolin-4-one is O=c1c2ccccc2nc(Cl)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-2-chloroquinazolin-4-one?
The InChIKey is VCSUUNCQURRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-14-16-12-9-5-4-8-11(12)13(19)18(14)17-10-6-2-1-3-7-10/h1-9,17H.
What are the key properties of 3-anilino-2-chloroquinazolin-4-one?
3-anilino-2-chloroquinazolin-4-one has a molecular weight of 271.71 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-chloroquinazolin-4-one is sourced from PubChem (CID 141230823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).