2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119511328

IUPAC2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCl.O=C1CCc2cc(C(=O)NCC3CCCN3)ccc2N1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-6-4-10-8-11(3-5-13(10)18-14)15(20)17-9-12-2-1-7-16-12;/h3,5,8,12,16H,1-2,4,6-7,9H2,(H,17,20)(H,18,19);1H
InChIKeyPHKHKURZFXDWOR-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.47
Rot. Bonds3

About 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119511328) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
PubChem CID119511328
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCl.O=C1CCc2cc(C(=O)NCC3CCCN3)ccc2N1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-6-4-10-8-11(3-5-13(10)18-14)15(20)17-9-12-2-1-7-16-12;/h3,5,8,12,16H,1-2,4,6-7,9H2,(H,17,20)(H,18,19);1H
InChIKeyPHKHKURZFXDWOR-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
2-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (CID 119511328) is 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is Cl.O=C1CCc2cc(C(=O)NCC3CCCN3)ccc2N1.
What is the InChIKey of 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is PHKHKURZFXDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14-6-4-10-8-11(3-5-13(10)18-14)15(20)17-9-12-2-1-7-16-12;/h3,5,8,12,16H,1-2,4,6-7,9H2,(H,17,20)(H,18,19);1H.
What are the key properties of 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119511328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).