2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide

C15H17N3O — CID 79689593

IUPAC2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCNC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-11-6-7-16-9-11/h2-5,8,11,16H,6-7,9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyXKEIFTTUKPJGEB-NSHDSACASA-N
MW255.32 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide

2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 79689593) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID79689593
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCNC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-11-6-7-16-9-11/h2-5,8,11,16H,6-7,9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyXKEIFTTUKPJGEB-NSHDSACASA-N
XLogP1.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119449550
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide
CID 99780999
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide (CID 79689593) is 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCNC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is XKEIFTTUKPJGEB-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-13(12-4-2-3-5-14(12)17-10)15(19)18-11-6-7-16-9-11/h2-5,8,11,16H,6-7,9H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide?
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 79689593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).