6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C14H17N3O2 — CID 103806132

IUPAC6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C14H17N3O2/c15-11-5-6-17(8-11)14(19)10-1-3-12-9(7-10)2-4-13(18)16-12/h1,3,7,11H,2,4-6,8,15H2,(H,16,18)
InChIKeyLIPUPWHGNSPQNO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.74
Rot. Bonds1

About 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103806132) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID103806132
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C14H17N3O2/c15-11-5-6-17(8-11)14(19)10-1-3-12-9(7-10)2-4-13(18)16-12/h1,3,7,11H,2,4-6,8,15H2,(H,16,18)
InChIKeyLIPUPWHGNSPQNO-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103714923
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120658327
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 126811624
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 103806132) is 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is NC1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LIPUPWHGNSPQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-5-6-17(8-11)14(19)10-1-3-12-9(7-10)2-4-13(18)16-12/h1,3,7,11H,2,4-6,8,15H2,(H,16,18).
What are the key properties of 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103806132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).