(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone

C19H17N3O — CID 3412131

IUPAC(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C19H17N3O/c23-19(22-10-3-4-11-22)16-12-18(14-6-5-9-20-13-14)21-17-8-2-1-7-15(16)17/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyBFVACIPUTIKBNM-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.53
Rot. Bonds2

About (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone

(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 3412131) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID3412131
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C19H17N3O/c23-19(22-10-3-4-11-22)16-12-18(14-6-5-9-20-13-14)21-17-8-2-1-7-15(16)17/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyBFVACIPUTIKBNM-UHFFFAOYSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone (CID 3412131) is (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCC1.
What is the InChIKey of (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BFVACIPUTIKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(22-10-3-4-11-22)16-12-18(14-6-5-9-20-13-14)21-17-8-2-1-7-15(16)17/h1-2,5-9,12-13H,3-4,10-11H2.
What are the key properties of (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 303.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3412131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).