N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

C26H34N4O2 — CID 11590164

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccc(OC)cc1)N2
InChIInChI=1S/C26H34N4O2/c1-3-30-14-4-5-19(30)16-28-26(31)18-8-11-23-22(15-18)25-21(12-13-27-25)24(29-23)17-6-9-20(32-2)10-7-17/h6-11,15,19,21,24-25,27,29H,3-5,12-14,16H2,1-2H3,(H,28,31)
InChIKeyKAQZLQLMEHGFQH-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.73
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (PubChem CID 11590164) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
PubChem CID11590164
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccc(OC)cc1)N2
InChIInChI=1S/C26H34N4O2/c1-3-30-14-4-5-19(30)16-28-26(31)18-8-11-23-22(15-18)25-21(12-13-27-25)24(29-23)17-6-9-20(32-2)10-7-17/h6-11,15,19,21,24-25,27,29H,3-5,12-14,16H2,1-2H3,(H,28,31)
InChIKeyKAQZLQLMEHGFQH-UHFFFAOYSA-N
XLogP3.73
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide with MolForge

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Related Compounds

(3aR,9bS)-N-(oxolan-2-ylmethyl)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 58919275
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11502641
N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11596287
(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 58919343
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451504
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711907
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)sulfinyl-3-nitrobenzamide
CID 129065076
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 92699787

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (CID 11590164) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is CCN1CCCC1CNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccc(OC)cc1)N2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The InChIKey is KAQZLQLMEHGFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-30-14-4-5-19(30)16-28-26(31)18-8-11-23-22(15-18)25-21(12-13-27-25)24(29-23)17-6-9-20(32-2)10-7-17/h6-11,15,19,21,24-25,27,29H,3-5,12-14,16H2,1-2H3,(H,28,31).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is sourced from PubChem (CID 11590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).