[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone

C19H23N3O — CID 167959828

IUPAC[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)N1CCCC1CN1CCCC1
InChIInChI=1S/C19H23N3O/c23-19(16-8-7-15-5-3-9-20-18(15)13-16)22-12-4-6-17(22)14-21-10-1-2-11-21/h3,5,7-9,13,17H,1-2,4,6,10-12,14H2
InChIKeyPFLHHFBQRZOCSK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.94
Rot. Bonds3

About [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone

[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone (PubChem CID 167959828) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone.

Molecular Properties

Compound Name[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
PubChem CID167959828
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)N1CCCC1CN1CCCC1
InChIInChI=1S/C19H23N3O/c23-19(16-8-7-15-5-3-9-20-18(15)13-16)22-12-4-6-17(22)14-21-10-1-2-11-21/h3,5,7-9,13,17H,1-2,4,6,10-12,14H2
InChIKeyPFLHHFBQRZOCSK-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone 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

2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(4-bromo-3-fluorophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965285
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
(4-pyridin-4-ylsulfanylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 67180122
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 176505498

Frequently Asked Questions

What is the IUPAC name of [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone?
The IUPAC name of [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone (CID 167959828) is [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone.
What is the SMILES notation for [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone?
The canonical SMILES for [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone is O=C(c1ccc2cccnc2c1)N1CCCC1CN1CCCC1.
What is the InChIKey of [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone?
The InChIKey is PFLHHFBQRZOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(16-8-7-15-5-3-9-20-18(15)13-16)22-12-4-6-17(22)14-21-10-1-2-11-21/h3,5,7-9,13,17H,1-2,4,6,10-12,14H2.
What are the key properties of [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone?
[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone is sourced from PubChem (CID 167959828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).