N-pyrrolidin-3-ylquinoline-4-carboxamide

C14H15N3O — CID 81478788

IUPACN-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNC1)c1ccnc2ccccc12
InChIInChI=1S/C14H15N3O/c18-14(17-10-5-7-15-9-10)12-6-8-16-13-4-2-1-3-11(12)13/h1-4,6,8,10,15H,5,7,9H2,(H,17,18)
InChIKeyICGQDYQZZBGHAS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.33
Rot. Bonds2

About N-pyrrolidin-3-ylquinoline-4-carboxamide

N-pyrrolidin-3-ylquinoline-4-carboxamide (PubChem CID 81478788) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-pyrrolidin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylquinoline-4-carboxamide
PubChem CID81478788
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNC1)c1ccnc2ccccc12
InChIInChI=1S/C14H15N3O/c18-14(17-10-5-7-15-9-10)12-6-8-16-13-4-2-1-3-11(12)13/h1-4,6,8,10,15H,5,7,9H2,(H,17,18)
InChIKeyICGQDYQZZBGHAS-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
CID 172895594
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-pyrrolidin-3-ylquinoline-4-carboxamide (CID 81478788) is N-pyrrolidin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-pyrrolidin-3-ylquinoline-4-carboxamide is O=C(NC1CCNC1)c1ccnc2ccccc12.
What is the InChIKey of N-pyrrolidin-3-ylquinoline-4-carboxamide?
The InChIKey is ICGQDYQZZBGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(17-10-5-7-15-9-10)12-6-8-16-13-4-2-1-3-11(12)13/h1-4,6,8,10,15H,5,7,9H2,(H,17,18).
What are the key properties of N-pyrrolidin-3-ylquinoline-4-carboxamide?
N-pyrrolidin-3-ylquinoline-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 81478788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).