5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide

C20H17ClN2O3 — CID 54707827

IUPAC5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H17ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h3-11,24H,1,12H2,2H3
InChIKeyXWNDFCDIGZWBGT-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.73
Rot. Bonds4

About 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide

5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 54707827) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide
PubChem CID54707827
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H17ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h3-11,24H,1,12H2,2H3
InChIKeyXWNDFCDIGZWBGT-UHFFFAOYSA-N
XLogP3.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide (CID 54707827) is 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide is C=CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is XWNDFCDIGZWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h3-11,24H,1,12H2,2H3.
What are the key properties of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide?
5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).