N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

C20H20N2O3S — CID 54728929

IUPACN-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C20H20N2O3S/c1-21(12-13-7-5-4-6-8-13)19(24)17-18(23)15-11-14(26-3)9-10-16(15)22(2)20(17)25/h4-11,23H,12H2,1-3H3
InChIKeyWXYTVCPXFJQZDH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.24
Rot. Bonds4

About N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (PubChem CID 54728929) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
PubChem CID54728929
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)Cc1ccccc1)c(=O)n2C
InChIInChI=1S/C20H20N2O3S/c1-21(12-13-7-5-4-6-8-13)19(24)17-18(23)15-11-14(26-3)9-10-16(15)22(2)20(17)25/h4-11,23H,12H2,1-3H3
InChIKeyWXYTVCPXFJQZDH-UHFFFAOYSA-N
XLogP3.24
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-phenylmethoxyethyl)quinoline-3-carboxamide
CID 139664822
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-propoxyethyl)quinoline-3-carboxamide
CID 139664827
4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 150676898
4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
CID 54726174
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 123856404
4-hydroxy-N-(2-methoxyethyl)-1-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carbothioamide
CID 139664833
11-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]sulfanylundecanoic acid
CID 139667726
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
CID 139667758
N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 126458147
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N,2,6,7-tetramethyl-N-[(4-methylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 21463083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (CID 54728929) is N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is CSc1ccc2c(c1)c(O)c(C(=O)N(C)Cc1ccccc1)c(=O)n2C.
What is the InChIKey of N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The InChIKey is WXYTVCPXFJQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-21(12-13-7-5-4-6-8-13)19(24)17-18(23)15-11-14(26-3)9-10-16(15)22(2)20(17)25/h4-11,23H,12H2,1-3H3.
What are the key properties of N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54728929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).