3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one

C19H21N3O — CID 178144829

IUPAC3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=CCN(C2=CCNCC2)CC1
InChIInChI=1S/C19H21N3O/c23-19-17(13-15-3-1-2-4-18(15)21-19)14-7-11-22(12-8-14)16-5-9-20-10-6-16/h1-5,7,13,20H,6,8-12H2,(H,21,23)
InChIKeyRBKZXFYNHPPSHG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.49
Rot. Bonds2

About 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one

3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one (PubChem CID 178144829) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one
PubChem CID178144829
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=CCN(C2=CCNCC2)CC1
InChIInChI=1S/C19H21N3O/c23-19-17(13-15-3-1-2-4-18(15)21-19)14-7-11-22(12-8-14)16-5-9-20-10-6-16/h1-5,7,13,20H,6,8-12H2,(H,21,23)
InChIKeyRBKZXFYNHPPSHG-UHFFFAOYSA-N
XLogP2.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one (CID 178144829) is 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1=CCN(C2=CCNCC2)CC1.
What is the InChIKey of 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one?
The InChIKey is RBKZXFYNHPPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19-17(13-15-3-1-2-4-18(15)21-19)14-7-11-22(12-8-14)16-5-9-20-10-6-16/h1-5,7,13,20H,6,8-12H2,(H,21,23).
What are the key properties of 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one?
3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one has a molecular weight of 307.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 178144829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).