N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C22H24N2O2S — CID 17243533

IUPACN-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc2c1NC(c1cccs1)C1CC=CC21
InChIInChI=1S/C22H24N2O2S/c25-22(23-13-14-5-3-11-26-14)18-9-2-7-16-15-6-1-8-17(15)21(24-20(16)18)19-10-4-12-27-19/h1-2,4,6-7,9-10,12,14-15,17,21,24H,3,5,8,11,13H2,(H,23,25)
InChIKeyIBHPJDXKMCOVOB-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.48
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17243533) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
PubChem CID17243533
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc2c1NC(c1cccs1)C1CC=CC21
InChIInChI=1S/C22H24N2O2S/c25-22(23-13-14-5-3-11-26-14)18-9-2-7-16-15-6-1-8-17(15)21(24-20(16)18)19-10-4-12-27-19/h1-2,4,6-7,9-10,12,14-15,17,21,24H,3,5,8,11,13H2,(H,23,25)
InChIKeyIBHPJDXKMCOVOB-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide with MolForge

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Related Compounds

4-(2-methylphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17241752
4-(2-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17238440
N-(1-phenylethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243532
N-(3,4-dimethylphenyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243545
N-ethyl-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17242082
4-(2-chlorophenyl)-N-(2-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17239523
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
4-(5-methylthiophen-2-yl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17237611
4-(4-hydroxyphenyl)-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236525
4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17236501
N-benzyl-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17241578

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17243533) is N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is O=C(NCC1CCCO1)c1cccc2c1NC(c1cccs1)C1CC=CC21.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
The InChIKey is IBHPJDXKMCOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-22(23-13-14-5-3-11-26-14)18-9-2-7-16-15-6-1-8-17(15)21(24-20(16)18)19-10-4-12-27-19/h1-2,4,6-7,9-10,12,14-15,17,21,24H,3,5,8,11,13H2,(H,23,25).
What are the key properties of N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?
N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17243533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).