N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide

C14H15N3O — CID 79688925

IUPACN-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1ccc2ncccc2c1
InChIInChI=1S/C14H15N3O/c18-14(17-12-5-7-15-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-4,6,8,12,15H,5,7,9H2,(H,17,18)/t12-/m0/s1
InChIKeyKMBLFCLIOWCEHD-LBPRGKRZSA-N
MW241.29 g/mol
LogP1.33
Rot. Bonds2

About N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide

N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide (PubChem CID 79688925) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
PubChem CID79688925
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1ccc2ncccc2c1
InChIInChI=1S/C14H15N3O/c18-14(17-12-5-7-15-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-4,6,8,12,15H,5,7,9H2,(H,17,18)/t12-/m0/s1
InChIKeyKMBLFCLIOWCEHD-LBPRGKRZSA-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-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
CID 169421424

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide (CID 79688925) is N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide is O=C(N[C@H]1CCNC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
The InChIKey is KMBLFCLIOWCEHD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(17-12-5-7-15-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-4,6,8,12,15H,5,7,9H2,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide?
N-[(3S)-pyrrolidin-3-yl]quinoline-6-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-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 79688925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).