N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide

C19H25N3O — CID 86824127

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide
SMILESCC(CNC(=O)Cc1cccc2cccnc12)CN1CCCC1
InChIInChI=1S/C19H25N3O/c1-15(14-22-10-2-3-11-22)13-21-18(23)12-17-7-4-6-16-8-5-9-20-19(16)17/h4-9,15H,2-3,10-14H2,1H3,(H,21,23)
InChIKeyKRHQLBMTWAVHMO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.63
Rot. Bonds6

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide (PubChem CID 86824127) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide
PubChem CID86824127
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide
SMILESCC(CNC(=O)Cc1cccc2cccnc12)CN1CCCC1
InChIInChI=1S/C19H25N3O/c1-15(14-22-10-2-3-11-22)13-21-18(23)12-17-7-4-6-16-8-5-9-20-19(16)17/h4-9,15H,2-3,10-14H2,1H3,(H,21,23)
InChIKeyKRHQLBMTWAVHMO-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 78986962
methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
CID 95981734
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-quinolin-8-ylacetamide
CID 71879938
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 126819530
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide (CID 86824127) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide is CC(CNC(=O)Cc1cccc2cccnc12)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide?
The InChIKey is KRHQLBMTWAVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(14-22-10-2-3-11-22)13-21-18(23)12-17-7-4-6-16-8-5-9-20-19(16)17/h4-9,15H,2-3,10-14H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide has a molecular weight of 311.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 86824127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).