1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one

C25H21N3O2 — CID 7620216

IUPAC1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O2/c1-17-14-19-10-5-6-12-22(19)28(17)25(30)21-15-20-11-7-13-26-23(20)27(24(21)29)16-18-8-3-2-4-9-18/h2-13,15,17H,14,16H2,1H3/t17-/m1/s1
InChIKeyMLFCRWMPPPBINY-QGZVFWFLSA-N
MW395.46 g/mol
LogP4.04
Rot. Bonds3

About 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one

1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one (PubChem CID 7620216) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
PubChem CID7620216
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O2/c1-17-14-19-10-5-6-12-22(19)28(17)25(30)21-15-20-11-7-13-26-23(20)27(24(21)29)16-18-8-3-2-4-9-18/h2-13,15,17H,14,16H2,1H3/t17-/m1/s1
InChIKeyMLFCRWMPPPBINY-QGZVFWFLSA-N
XLogP4.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995972
1-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7619470
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995973
3-(2,3-dihydroindole-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620765
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one
CID 43995845
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51854405
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one (CID 7620216) is 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one is C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one?
The InChIKey is MLFCRWMPPPBINY-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-14-19-10-5-6-12-22(19)28(17)25(30)21-15-20-11-7-13-26-23(20)27(24(21)29)16-18-8-3-2-4-9-18/h2-13,15,17H,14,16H2,1H3/t17-/m1/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one?
1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one has a molecular weight of 395.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).