7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one

C17H13N3O2 — CID 22631411

IUPAC7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESNc1ccc(-c2cnc3c(c2)NC(=O)CO3)c2ccccc12
InChIInChI=1S/C17H13N3O2/c18-14-6-5-11(12-3-1-2-4-13(12)14)10-7-15-17(19-8-10)22-9-16(21)20-15/h1-8H,9,18H2,(H,20,21)
InChIKeyJBTRFKDNDWPCHD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.81
Rot. Bonds1

About 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 22631411) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID22631411
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESNc1ccc(-c2cnc3c(c2)NC(=O)CO3)c2ccccc12
InChIInChI=1S/C17H13N3O2/c18-14-6-5-11(12-3-1-2-4-13(12)14)10-7-15-17(19-8-10)22-9-16(21)20-15/h1-8H,9,18H2,(H,20,21)
InChIKeyJBTRFKDNDWPCHD-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5H-pyridazino[3,4-b][1,4]oxazin-6-one
CID 118023009
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519830
7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000658
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 59473240
7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 134226578
6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 10085761
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
CID 42918979
4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
6-(4-oxo-3-phenylphthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472682
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 22631411) is 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one is Nc1ccc(-c2cnc3c(c2)NC(=O)CO3)c2ccccc12.
What is the InChIKey of 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is JBTRFKDNDWPCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-14-6-5-11(12-3-1-2-4-13(12)14)10-7-15-17(19-8-10)22-9-16(21)20-15/h1-8H,9,18H2,(H,20,21).
What are the key properties of 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one?
7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 22631411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).