7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one

C16H13ClN2O — CID 71576801

IUPAC7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-c3ccc(N)cc3Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)
InChIKeyIQDLYUBWYUECEE-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.74
Rot. Bonds1

About 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one

7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one (PubChem CID 71576801) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one
PubChem CID71576801
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-c3ccc(N)cc3Cl)ccc12
InChIInChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)
InChIKeyIQDLYUBWYUECEE-UHFFFAOYSA-N
XLogP3.74
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one (CID 71576801) is 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(-c3ccc(N)cc3Cl)ccc12.
What is the InChIKey of 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is IQDLYUBWYUECEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one?
7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-chlorophenyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 71576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).