4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide

C19H18N2O4S — CID 123602296

IUPAC4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(CO)c3cc(SC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-25-12-5-3-11(4-6-12)20-18(23)17-15(10-22)14-9-13(26-2)7-8-16(14)21-19(17)24/h3-9,22H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYHDCMBKONBGXCV-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.00
Rot. Bonds5

About 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide

4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 123602296) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID123602296
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(CO)c3cc(SC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-25-12-5-3-11(4-6-12)20-18(23)17-15(10-22)14-9-13(26-2)7-8-16(14)21-19(17)24/h3-9,22H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYHDCMBKONBGXCV-UHFFFAOYSA-N
XLogP3.00
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
CID 176509093
N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 123458521
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 88863659
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706028

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide (CID 123602296) is 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)c2c(CO)c3cc(SC)ccc3[nH]c2=O)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YHDCMBKONBGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-12-5-3-11(4-6-12)20-18(23)17-15(10-22)14-9-13(26-2)7-8-16(14)21-19(17)24/h3-9,22H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide?
4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 123602296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).