2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one

C16H14ClN3O2 — CID 74766058

IUPAC2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Nc2ccc(Cl)cc2)n1CCO
InChIInChI=1S/C16H14ClN3O2/c17-11-5-7-12(8-6-11)18-16-19-14-4-2-1-3-13(14)15(22)20(16)9-10-21/h1-8,21H,9-10H2,(H,18,19)
InChIKeyJYLLCXQOEZUTSO-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.79
Rot. Bonds4

About 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one

2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 74766058) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID74766058
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Nc2ccc(Cl)cc2)n1CCO
InChIInChI=1S/C16H14ClN3O2/c17-11-5-7-12(8-6-11)18-16-19-14-4-2-1-3-13(14)15(22)20(16)9-10-21/h1-8,21H,9-10H2,(H,18,19)
InChIKeyJYLLCXQOEZUTSO-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-3-propylquinazolin-4-one
CID 10901968
2-(4-chloroanilino)-3-[(triphenyl-λ5-phosphanylidene)amino]quinazolin-4-one
CID 11318793
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-(4-chloroanilino)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 11339207
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
2-(4-chloroanilino)-3-(phenyliminomethylideneamino)quinazolin-4-one
CID 11165130
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one (CID 74766058) is 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccccc2nc(Nc2ccc(Cl)cc2)n1CCO.
What is the InChIKey of 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is JYLLCXQOEZUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-11-5-7-12(8-6-11)18-16-19-14-4-2-1-3-13(14)15(22)20(16)9-10-21/h1-8,21H,9-10H2,(H,18,19).
What are the key properties of 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one?
2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 315.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 74766058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).