4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one

C32H26N2O2 — CID 164674206

IUPAC4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one
SMILESCC1CN(c2ccccc2)C(=O)c2c1nc1ccccc1c2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26N2O2/c1-22-20-34(25-12-6-3-7-13-25)32(35)30-29(27-14-8-9-15-28(27)33-31(22)30)24-16-18-26(19-17-24)36-21-23-10-4-2-5-11-23/h2-19,22H,20-21H2,1H3
InChIKeyNZORCHYQPUUYNP-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.24
Rot. Bonds5

About 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one

4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one (PubChem CID 164674206) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one
PubChem CID164674206
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Name4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one
SMILESCC1CN(c2ccccc2)C(=O)c2c1nc1ccccc1c2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26N2O2/c1-22-20-34(25-12-6-3-7-13-25)32(35)30-29(27-14-8-9-15-28(27)33-31(22)30)24-16-18-26(19-17-24)36-21-23-10-4-2-5-11-23/h2-19,22H,20-21H2,1H3
InChIKeyNZORCHYQPUUYNP-UHFFFAOYSA-N
XLogP7.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one?
The IUPAC name of 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one (CID 164674206) is 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one.
What is the SMILES notation for 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one?
The canonical SMILES for 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one is CC1CN(c2ccccc2)C(=O)c2c1nc1ccccc1c2-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one?
The InChIKey is NZORCHYQPUUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-22-20-34(25-12-6-3-7-13-25)32(35)30-29(27-14-8-9-15-28(27)33-31(22)30)24-16-18-26(19-17-24)36-21-23-10-4-2-5-11-23/h2-19,22H,20-21H2,1H3.
What are the key properties of 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one?
4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one has a molecular weight of 470.57 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-10-(4-phenylmethoxyphenyl)-3,4-dihydrobenzo[b][1,6]naphthyridin-1-one is sourced from PubChem (CID 164674206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).