7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one

C25H22N2O2 — CID 15988490

IUPAC7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H22N2O2/c1-16-4-9-19(10-5-16)14-27-15-22(23(28)20-11-6-17(2)7-12-20)24(29)21-13-8-18(3)26-25(21)27/h4-13,15H,14H2,1-3H3
InChIKeyDPPVPKQLZIJFAK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.60
Rot. Bonds4

About 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one

7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one (PubChem CID 15988490) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one
PubChem CID15988490
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H22N2O2/c1-16-4-9-19(10-5-16)14-27-15-22(23(28)20-11-6-17(2)7-12-20)24(29)21-13-8-18(3)26-25(21)27/h4-13,15H,14H2,1-3H3
InChIKeyDPPVPKQLZIJFAK-UHFFFAOYSA-N
XLogP4.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one (CID 15988490) is 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one is Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The InChIKey is DPPVPKQLZIJFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-16-4-9-19(10-5-16)14-27-15-22(23(28)20-11-6-17(2)7-12-20)24(29)21-13-8-18(3)26-25(21)27/h4-13,15H,14H2,1-3H3.
What are the key properties of 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one?
7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one has a molecular weight of 382.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 15988490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).