1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide

C14H15N3O2 — CID 119449475

IUPAC1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
SMILESO=C(NC1CCNC1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-11-4-2-1-3-9(11)7-12(17-13)14(19)16-10-5-6-15-8-10/h1-4,7,10,15H,5-6,8H2,(H,16,19)(H,17,18)
InChIKeyZNLCEMMJWVZZHS-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.62
Rot. Bonds2

About 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide

1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide (PubChem CID 119449475) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
PubChem CID119449475
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
SMILESO=C(NC1CCNC1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-11-4-2-1-3-9(11)7-12(17-13)14(19)16-10-5-6-15-8-10/h1-4,7,10,15H,5-6,8H2,(H,16,19)(H,17,18)
InChIKeyZNLCEMMJWVZZHS-UHFFFAOYSA-N
XLogP0.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120557419
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-[2-(cycloheptylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 119619169
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-cyclopropyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901032
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2H-isoquinolin-1-one
CID 120660187
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741
N-tert-butyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47111155

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide?
The IUPAC name of 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide (CID 119449475) is 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide is O=C(NC1CCNC1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide?
The InChIKey is ZNLCEMMJWVZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-11-4-2-1-3-9(11)7-12(17-13)14(19)16-10-5-6-15-8-10/h1-4,7,10,15H,5-6,8H2,(H,16,19)(H,17,18).
What are the key properties of 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide?
1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 119449475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).