N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C21H18N2O2S2 — CID 1452960

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C21H18N2O2S2/c1-14-6-7-15-11-16(20(24)22-18(15)10-14)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyWTOJVFWAGQPPLE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.80
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 1452960) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID1452960
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C21H18N2O2S2/c1-14-6-7-15-11-16(20(24)22-18(15)10-14)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyWTOJVFWAGQPPLE-UHFFFAOYSA-N
XLogP4.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 1388799
N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1396662
1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141423
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
3-cyclohexyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141375
3-(4-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 1454918
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1453893
3-[3-(diethylamino)propyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 3174024
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 945176
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161660

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 1452960) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is WTOJVFWAGQPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c1-14-6-7-15-11-16(20(24)22-18(15)10-14)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).