6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one

C16H22N2O3 — CID 50979859

IUPAC6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(C1CCNCC1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-20-14-7-12-11(10-3-5-17-6-4-10)8-16(19)18-13(12)9-15(14)21-2/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNWKZRCXERWXXKA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds3

About 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 50979859) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID50979859
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(C1CCNCC1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-20-14-7-12-11(10-3-5-17-6-4-10)8-16(19)18-13(12)9-15(14)21-2/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNWKZRCXERWXXKA-UHFFFAOYSA-N
XLogP2.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
(4R)-2-oxo-4-piperidin-4-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95149170
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
4-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312554
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
N-[(4S)-4-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxybenzamide
CID 95125652
6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 2988534
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one (CID 50979859) is 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(C1CCNCC1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWKZRCXERWXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-7-12-11(10-3-5-17-6-4-10)8-16(19)18-13(12)9-15(14)21-2/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 50979859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).