N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide

C17H23N3O3 — CID 120944772

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCc2ccccc21)NCC1CNCC1O
InChIInChI=1S/C17H23N3O3/c21-15-11-18-9-13(15)10-19-16(22)7-8-20-14-4-2-1-3-12(14)5-6-17(20)23/h1-4,13,15,18,21H,5-11H2,(H,19,22)
InChIKeyUTELTLXHQAGMKC-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.05
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide (PubChem CID 120944772) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
PubChem CID120944772
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCc2ccccc21)NCC1CNCC1O
InChIInChI=1S/C17H23N3O3/c21-15-11-18-9-13(15)10-19-16(22)7-8-20-14-4-2-1-3-12(14)5-6-17(20)23/h1-4,13,15,18,21H,5-11H2,(H,19,22)
InChIKeyUTELTLXHQAGMKC-UHFFFAOYSA-N
XLogP0.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide 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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide;hydrochloride
CID 120948466
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
N-(2-amino-1-cyclopropylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119613182
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
N-(2-methylpiperidin-3-yl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120575805
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120944653
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide (CID 120944772) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide is O=C(CCN1C(=O)CCc2ccccc21)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The InChIKey is UTELTLXHQAGMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15-11-18-9-13(15)10-19-16(22)7-8-20-14-4-2-1-3-12(14)5-6-17(20)23/h1-4,13,15,18,21H,5-11H2,(H,19,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide is sourced from PubChem (CID 120944772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).