phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate

C21H18N2O3S — CID 7517433

IUPACphenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)Oc1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-20(19-9-5-13-27-19)23-12-4-6-15-10-11-16(14-18(15)23)22-21(25)26-17-7-2-1-3-8-17/h1-3,5,7-11,13-14H,4,6,12H2,(H,22,25)
InChIKeyMDPWSCYWCYBTQG-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.95
Rot. Bonds3

About phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate

phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate (PubChem CID 7517433) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
PubChem CID7517433
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Namephenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)Oc1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-20(19-9-5-13-27-19)23-12-4-6-15-10-11-16(14-18(15)23)22-21(25)26-17-7-2-1-3-8-17/h1-3,5,7-11,13-14H,4,6,12H2,(H,22,25)
InChIKeyMDPWSCYWCYBTQG-UHFFFAOYSA-N
XLogP4.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517427
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 27558234

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The IUPAC name of phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate (CID 7517433) is phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The canonical SMILES for phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate is O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The InChIKey is MDPWSCYWCYBTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-20(19-9-5-13-27-19)23-12-4-6-15-10-11-16(14-18(15)23)22-21(25)26-17-7-2-1-3-8-17/h1-3,5,7-11,13-14H,4,6,12H2,(H,22,25).
What are the key properties of phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate?
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate has a molecular weight of 378.45 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate is sourced from PubChem (CID 7517433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).