3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C24H17N3O — CID 137438083

IUPAC3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C24H17N3O/c1-15-14-26-24-20(23(15)28)13-19(22(27-24)16-6-3-2-4-7-16)17-9-10-21-18(12-17)8-5-11-25-21/h2-14H,1H3,(H,26,27,28)
InChIKeyFZIRCRHPGMKLHE-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.11
Rot. Bonds2

About 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438083) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438083
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C24H17N3O/c1-15-14-26-24-20(23(15)28)13-19(22(27-24)16-6-3-2-4-7-16)17-9-10-21-18(12-17)8-5-11-25-21/h2-14H,1H3,(H,26,27,28)
InChIKeyFZIRCRHPGMKLHE-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438083) is 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O.
What is the InChIKey of 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is FZIRCRHPGMKLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-15-14-26-24-20(23(15)28)13-19(22(27-24)16-6-3-2-4-7-16)17-9-10-21-18(12-17)8-5-11-25-21/h2-14H,1H3,(H,26,27,28).
What are the key properties of 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 363.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).