8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

C23H23N3O2 — CID 126572427

IUPAC8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(NCc4ccccc4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C23H23N3O2/c1-15-10-19(14-26(2)23(15)28)18-11-17-8-9-21(27)25-22(17)20(12-18)24-13-16-6-4-3-5-7-16/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,25,27)
InChIKeyFZTVMAGQAZHPHW-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.86
Rot. Bonds4

About 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126572427) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126572427
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(NCc4ccccc4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C23H23N3O2/c1-15-10-19(14-26(2)23(15)28)18-11-17-8-9-21(27)25-22(17)20(12-18)24-13-16-6-4-3-5-7-16/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,25,27)
InChIKeyFZTVMAGQAZHPHW-UHFFFAOYSA-N
XLogP3.86
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (CID 126572427) is 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(c(NCc4ccccc4)c2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FZTVMAGQAZHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-10-19(14-26(2)23(15)28)18-11-17-8-9-21(27)25-22(17)20(12-18)24-13-16-6-4-3-5-7-16/h3-7,10-12,14,24H,8-9,13H2,1-2H3,(H,25,27).
What are the key properties of 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzylamino)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126572427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).