[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

C17H21N3O — CID 63765568

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESNCCCC1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c18-11-3-6-14-7-4-12-20(14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12,18H2
InChIKeyGKKMZYWYUSFOOE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.58
Rot. Bonds4

About [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 63765568) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID63765568
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESNCCCC1CCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c18-11-3-6-14-7-4-12-20(14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12,18H2
InChIKeyGKKMZYWYUSFOOE-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[2-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807500
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114041022
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 63765568) is [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is NCCCC1CCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is GKKMZYWYUSFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-3-6-14-7-4-12-20(14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12,18H2.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 283.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 63765568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).