6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

C17H13ClN2O3 — CID 54717880

IUPAC6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2cc(Cl)ccc21
InChIInChI=1S/C17H13ClN2O3/c1-20-13-8-7-10(18)9-12(13)15(21)14(17(20)23)16(22)19-11-5-3-2-4-6-11/h2-9,21H,1H3,(H,19,22)
InChIKeyKSJQRTLBKMGIQF-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.15
Rot. Bonds2

About 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54717880) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54717880
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2cc(Cl)ccc21
InChIInChI=1S/C17H13ClN2O3/c1-20-13-8-7-10(18)9-12(13)15(21)14(17(20)23)16(22)19-11-5-3-2-4-6-11/h2-9,21H,1H3,(H,19,22)
InChIKeyKSJQRTLBKMGIQF-UHFFFAOYSA-N
XLogP3.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54717880) is 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is KSJQRTLBKMGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-20-13-8-7-10(18)9-12(13)15(21)14(17(20)23)16(22)19-11-5-3-2-4-6-11/h2-9,21H,1H3,(H,19,22).
What are the key properties of 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54717880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).