N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide

C15H17N3O2 — CID 76975241

IUPACN-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
SMILESCOC1CNCC1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O2/c1-20-14-9-16-8-13(14)18-15(19)11-4-5-12-10(7-11)3-2-6-17-12/h2-7,13-14,16H,8-9H2,1H3,(H,18,19)
InChIKeyXCSMZYNYQCYSLK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.95
Rot. Bonds3

About N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide

N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide (PubChem CID 76975241) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
PubChem CID76975241
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
SMILESCOC1CNCC1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O2/c1-20-14-9-16-8-13(14)18-15(19)11-4-5-12-10(7-11)3-2-6-17-12/h2-7,13-14,16H,8-9H2,1H3,(H,18,19)
InChIKeyXCSMZYNYQCYSLK-UHFFFAOYSA-N
XLogP0.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
ethane;quinoline-6-carboxylic acid
CID 91364452
4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-nitrobenzamide
CID 43594209
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide (CID 76975241) is N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide is COC1CNCC1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide?
The InChIKey is XCSMZYNYQCYSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-9-16-8-13(14)18-15(19)11-4-5-12-10(7-11)3-2-6-17-12/h2-7,13-14,16H,8-9H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide?
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide is sourced from PubChem (CID 76975241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).