4-amino-7-chloro-3-phenyl-1H-quinolin-2-one

C15H11ClN2O — CID 10707207

IUPAC4-amino-7-chloro-3-phenyl-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(19)13(14(11)17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
InChIKeyBWKDZWYZDFTGJK-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.43
Rot. Bonds1

About 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one

4-amino-7-chloro-3-phenyl-1H-quinolin-2-one (PubChem CID 10707207) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-7-chloro-3-phenyl-1H-quinolin-2-one
PubChem CID10707207
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-amino-7-chloro-3-phenyl-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(19)13(14(11)17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
InChIKeyBWKDZWYZDFTGJK-UHFFFAOYSA-N
XLogP3.43
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one?
The IUPAC name of 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one (CID 10707207) is 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one?
The canonical SMILES for 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one is Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one?
The InChIKey is BWKDZWYZDFTGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(19)13(14(11)17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19).
What are the key properties of 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one?
4-amino-7-chloro-3-phenyl-1H-quinolin-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-3-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 10707207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).