pyrrolidin-3-yl(quinolin-7-yl)methanone

C14H14N2O — CID 116568273

IUPACpyrrolidin-3-yl(quinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)C1CCNC1
InChIInChI=1S/C14H14N2O/c17-14(12-5-7-15-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,15H,5,7,9H2
InChIKeyYZFGYQVOLNPRRR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.03
Rot. Bonds2

About pyrrolidin-3-yl(quinolin-7-yl)methanone

pyrrolidin-3-yl(quinolin-7-yl)methanone (PubChem CID 116568273) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is pyrrolidin-3-yl(quinolin-7-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(quinolin-7-yl)methanone
PubChem CID116568273
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namepyrrolidin-3-yl(quinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)C1CCNC1
InChIInChI=1S/C14H14N2O/c17-14(12-5-7-15-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,15H,5,7,9H2
InChIKeyYZFGYQVOLNPRRR-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941860
2-piperidin-4-yloxy-1-quinolin-7-ylethanone
CID 116571031
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-quinolin-7-ylmethanone
CID 171941871
(4-propylcyclohexyl)-quinolin-7-ylmethanone
CID 81197348
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(quinolin-7-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(quinolin-7-yl)methanone (CID 116568273) is pyrrolidin-3-yl(quinolin-7-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(quinolin-7-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(quinolin-7-yl)methanone is O=C(c1ccc2cccnc2c1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(quinolin-7-yl)methanone?
The InChIKey is YZFGYQVOLNPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(12-5-7-15-9-12)11-4-3-10-2-1-6-16-13(10)8-11/h1-4,6,8,12,15H,5,7,9H2.
What are the key properties of pyrrolidin-3-yl(quinolin-7-yl)methanone?
pyrrolidin-3-yl(quinolin-7-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(quinolin-7-yl)methanone is sourced from PubChem (CID 116568273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).