N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide

C19H25ClN2O2 — CID 26178024

IUPACN-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(NCCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2/c20-16-9-7-15(8-10-16)19(24)21-12-11-18(23)22-13-3-5-14-4-1-2-6-17(14)22/h7-10,14,17H,1-6,11-13H2,(H,21,24)/t14-,17-/m1/s1
InChIKeyLDJOAZUUVLRVIH-RHSMWYFYSA-N
MW348.87 g/mol
LogP3.64
Rot. Bonds4

About N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide

N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide (PubChem CID 26178024) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
PubChem CID26178024
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(NCCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2/c20-16-9-7-15(8-10-16)19(24)21-12-11-18(23)22-13-3-5-14-4-1-2-6-17(14)22/h7-10,14,17H,1-6,11-13H2,(H,21,24)/t14-,17-/m1/s1
InChIKeyLDJOAZUUVLRVIH-RHSMWYFYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide 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

4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 58708246
4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
CID 51318885
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylurea
CID 66794348
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylthiourea
CID 87154059
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
CID 110871785
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
tert-butyl 4-[3-[(4-chlorobenzoyl)amino]propanoyl]piperazine-1-carboxylate
CID 16617166

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide (CID 26178024) is N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide is O=C(NCCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is LDJOAZUUVLRVIH-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-9-7-15(8-10-16)19(24)21-12-11-18(23)22-13-3-5-14-4-1-2-6-17(14)22/h7-10,14,17H,1-6,11-13H2,(H,21,24)/t14-,17-/m1/s1.
What are the key properties of N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide?
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 348.87 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide is sourced from PubChem (CID 26178024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).