N-(3,4-dihydroquinolin-8-yl)formamide;ethane

C12H16N2O — CID 143299235

IUPACN-(3,4-dihydroquinolin-8-yl)formamide;ethane
SMILESCC.O=CNc1cccc2c1N=CCC2
InChIInChI=1S/C10H10N2O.C2H6/c13-7-12-9-5-1-3-8-4-2-6-11-10(8)9;1-2/h1,3,5-7H,2,4H2,(H,12,13);1-2H3
InChIKeyFJURXAHABGIVQD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.93
Rot. Bonds2

About N-(3,4-dihydroquinolin-8-yl)formamide;ethane

N-(3,4-dihydroquinolin-8-yl)formamide;ethane (PubChem CID 143299235) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(3,4-dihydroquinolin-8-yl)formamide;ethane.

Molecular Properties

Compound NameN-(3,4-dihydroquinolin-8-yl)formamide;ethane
PubChem CID143299235
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(3,4-dihydroquinolin-8-yl)formamide;ethane
SMILESCC.O=CNc1cccc2c1N=CCC2
InChIInChI=1S/C10H10N2O.C2H6/c13-7-12-9-5-1-3-8-4-2-6-11-10(8)9;1-2/h1,3,5-7H,2,4H2,(H,12,13);1-2H3
InChIKeyFJURXAHABGIVQD-UHFFFAOYSA-N
XLogP2.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(3,4-dihydroquinolin-8-yl)formamide;ethane 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-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide
CID 21894659
7-Methyl-1,2-dihydroquinoxalin-2-one
CID 583114
3-methyl-8-(propylamino)-1H-quinolin-2-one
CID 122180530
2-Hydroxy-6-methylquinoxaline
CID 11275161
N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide
CID 11311845
8-(2-Diethylaminoethylamino)-4-methylcarbostyril
CID 336081
7-Fluoro-8-methylquinoxalin-2(1H)-one
CID 45121720
8-(Trifluoromethyl)quinoxalin-2-ol
CID 71721268
8-[2-(Ethylamino)ethyl]-7-fluoro-1-methylquinoxalin-2-one
CID 169624144
8-[2-(Ethylamino)ethyl]-7-fluoro-1,3-dimethylquinoxalin-2-one
CID 169624187
1,5-Dimethylquinoxalin-2-one
CID 156769880
N-(2-formamido-4-methylphenyl)formamide
CID 85594189

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroquinolin-8-yl)formamide;ethane?
The IUPAC name of N-(3,4-dihydroquinolin-8-yl)formamide;ethane (CID 143299235) is N-(3,4-dihydroquinolin-8-yl)formamide;ethane.
What is the SMILES notation for N-(3,4-dihydroquinolin-8-yl)formamide;ethane?
The canonical SMILES for N-(3,4-dihydroquinolin-8-yl)formamide;ethane is CC.O=CNc1cccc2c1N=CCC2.
What is the InChIKey of N-(3,4-dihydroquinolin-8-yl)formamide;ethane?
The InChIKey is FJURXAHABGIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c13-7-12-9-5-1-3-8-4-2-6-11-10(8)9;1-2/h1,3,5-7H,2,4H2,(H,12,13);1-2H3.
What are the key properties of N-(3,4-dihydroquinolin-8-yl)formamide;ethane?
N-(3,4-dihydroquinolin-8-yl)formamide;ethane has a molecular weight of 204.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroquinolin-8-yl)formamide;ethane is sourced from PubChem (CID 143299235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).