6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one

C17H16N4O3 — CID 112522972

IUPAC6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one
SMILESCN1CCc2c(cncc2C(=O)n2c(=O)oc3cc(N)ccc32)C1
InChIInChI=1S/C17H16N4O3/c1-20-5-4-12-10(9-20)7-19-8-13(12)16(22)21-14-3-2-11(18)6-15(14)24-17(21)23/h2-3,6-8H,4-5,9,18H2,1H3
InChIKeyNITDRVARNNTFJY-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.25
Rot. Bonds1

About 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one

6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 112522972) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one
PubChem CID112522972
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one
SMILESCN1CCc2c(cncc2C(=O)n2c(=O)oc3cc(N)ccc32)C1
InChIInChI=1S/C17H16N4O3/c1-20-5-4-12-10(9-20)7-19-8-13(12)16(22)21-14-3-2-11(18)6-15(14)24-17(21)23/h2-3,6-8H,4-5,9,18H2,1H3
InChIKeyNITDRVARNNTFJY-UHFFFAOYSA-N
XLogP1.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112523720
(3-amino-2-methylindol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112527118
6-amino-3-(1-methylindole-4-carbonyl)-1,3-benzoxazol-2-one
CID 112523032
6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one
CID 110662069
6-amino-3-[2-(aminomethyl)pyridine-4-carbonyl]-1,3-benzoxazol-2-one
CID 112522920
5-amino-3-(2-methylpyrazole-3-carbonyl)-1,3-benzoxazol-2-one
CID 112525837
1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112526485
7-methyl-N-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530216
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
CID 83832573
6-amino-3-[2-methyl-3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 110838408
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
7-methyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530338

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one (CID 112522972) is 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one is CN1CCc2c(cncc2C(=O)n2c(=O)oc3cc(N)ccc32)C1.
What is the InChIKey of 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is NITDRVARNNTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-20-5-4-12-10(9-20)7-19-8-13(12)16(22)21-14-3-2-11(18)6-15(14)24-17(21)23/h2-3,6-8H,4-5,9,18H2,1H3.
What are the key properties of 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one?
6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 324.34 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 112522972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).