3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

C26H23N3O2 — CID 43995972

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3c4ccccc4CC3C)cc3cccnc32)cc1
InChIInChI=1S/C26H23N3O2/c1-17-9-11-19(12-10-17)16-28-24-21(7-5-13-27-24)15-22(25(28)30)26(31)29-18(2)14-20-6-3-4-8-23(20)29/h3-13,15,18H,14,16H2,1-2H3
InChIKeyOJTUKNRMRYVUFN-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.34
Rot. Bonds3

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 43995972) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID43995972
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3c4ccccc4CC3C)cc3cccnc32)cc1
InChIInChI=1S/C26H23N3O2/c1-17-9-11-19(12-10-17)16-28-24-21(7-5-13-27-24)15-22(25(28)30)26(31)29-18(2)14-20-6-3-4-8-23(20)29/h3-13,15,18H,14,16H2,1-2H3
InChIKeyOJTUKNRMRYVUFN-UHFFFAOYSA-N
XLogP4.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one with MolForge

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Related Compounds

1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620216
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995973
1-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7619470
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995937
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
3-(2,3-dihydroindole-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620765
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (CID 43995972) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is Cc1ccc(Cn2c(=O)c(C(=O)N3c4ccccc4CC3C)cc3cccnc32)cc1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is OJTUKNRMRYVUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17-9-11-19(12-10-17)16-28-24-21(7-5-13-27-24)15-22(25(28)30)26(31)29-18(2)14-20-6-3-4-8-23(20)29/h3-13,15,18H,14,16H2,1-2H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 409.49 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 43995972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).