4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one

C21H15ClN2O2 — CID 10713713

IUPAC4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESNc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H15ClN2O2/c22-14-9-10-17-18(12-14)24-21(25)19(20(17)23)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H3,23,24,25)
InChIKeyLQXSKACZCVEEST-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.22
Rot. Bonds3

About 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one

4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one (PubChem CID 10713713) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one
PubChem CID10713713
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESNc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H15ClN2O2/c22-14-9-10-17-18(12-14)24-21(25)19(20(17)23)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H3,23,24,25)
InChIKeyLQXSKACZCVEEST-UHFFFAOYSA-N
XLogP5.22
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one (CID 10713713) is 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one is Nc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The InChIKey is LQXSKACZCVEEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-14-9-10-17-18(12-14)24-21(25)19(20(17)23)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H3,23,24,25).
What are the key properties of 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one has a molecular weight of 362.82 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-3-(3-phenoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 10713713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).