N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide

C21H18N2O2S — CID 27557595

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cccs1
InChIInChI=1S/C21H18N2O2S/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,22,24)
InChIKeyREAORQCAIIKUMU-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.59
Rot. Bonds3

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide (PubChem CID 27557595) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
PubChem CID27557595
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cccs1
InChIInChI=1S/C21H18N2O2S/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,22,24)
InChIKeyREAORQCAIIKUMU-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
CID 71806504

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide (CID 27557595) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cccs1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide?
The InChIKey is REAORQCAIIKUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,22,24).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 27557595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).