7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one

C16H16N2O — CID 13382168

IUPAC7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(-c3ccccc3)ccc2C(=O)N1
InChIInChI=1S/C16H16N2O/c1-16(2)10-14-12(15(19)18-16)8-9-13(17-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBRUBMFVWYSYNNF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds1

About 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one

7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 13382168) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one
PubChem CID13382168
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(-c3ccccc3)ccc2C(=O)N1
InChIInChI=1S/C16H16N2O/c1-16(2)10-14-12(15(19)18-16)8-9-13(17-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBRUBMFVWYSYNNF-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 165381076
2-chloro-3,6-diphenylpyridine
CID 165358662
2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 84720759
4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
CID 164778968
2-bromo-6-phenyl-3-(4-phenylphenyl)pyridine
CID 142746925
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
3-methyl-6-phenylpyridine-2-carboxylic acid
CID 71435914
5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 22769045
1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455
7-(aziridin-1-yl)-2-phenylquinoline-5,8-dione
CID 24853870
(5Z)-4,4-dimethyl-6-phenyl-1,3-dihydro-1,4,5-benzotriazocin-4-ium-2-one
CID 12534713

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one (CID 13382168) is 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one is CC1(C)Cc2nc(-c3ccccc3)ccc2C(=O)N1.
What is the InChIKey of 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is BRUBMFVWYSYNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(2)10-14-12(15(19)18-16)8-9-13(17-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one?
7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 252.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-phenyl-6,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 13382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).