2-methylpyrido[2,3-g][3,1]benzoxazin-4-one

C12H8N2O2 — CID 141167289

IUPAC2-methylpyrido[2,3-g][3,1]benzoxazin-4-one
SMILESCc1nc2cc3cccnc3cc2c(=O)o1
InChIInChI=1S/C12H8N2O2/c1-7-14-11-5-8-3-2-4-13-10(8)6-9(11)12(15)16-7/h2-6H,1H3
InChIKeyAKEAGLRIMGVECW-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.04
Rot. Bonds

About 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one

2-methylpyrido[2,3-g][3,1]benzoxazin-4-one (PubChem CID 141167289) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name2-methylpyrido[2,3-g][3,1]benzoxazin-4-one
PubChem CID141167289
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-methylpyrido[2,3-g][3,1]benzoxazin-4-one
SMILESCc1nc2cc3cccnc3cc2c(=O)o1
InChIInChI=1S/C12H8N2O2/c1-7-14-11-5-8-3-2-4-13-10(8)6-9(11)12(15)16-7/h2-6H,1H3
InChIKeyAKEAGLRIMGVECW-UHFFFAOYSA-N
XLogP2.04
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
CID 541118
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
7,9-dimethylpyrido[4,3-g]quinoline
CID 118895211
7-butylpyrano[4,3-b]pyridin-5-one
CID 14090391
6-methylquinoline
CID 7059
2-methylfuro[2,3-b]pyridine
CID 583578
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
6-methylquinoline-7-carboxamide
CID 142343744
2-(trideuteriomethyl)-3,1-benzoxazin-4-one
CID 71312753
ethane;quinolin-7-ol
CID 143537862
2-methylbenzotriazole;2-methyl-3,1-benzoxazin-4-one;2,4,6-trimethyl-1,3,5-triazine
CID 160778652
N-(6-methylquinolin-7-yl)formamide
CID 168651780

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one?
The IUPAC name of 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one (CID 141167289) is 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one.
What is the SMILES notation for 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one?
The canonical SMILES for 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one is Cc1nc2cc3cccnc3cc2c(=O)o1.
What is the InChIKey of 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one?
The InChIKey is AKEAGLRIMGVECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-7-14-11-5-8-3-2-4-13-10(8)6-9(11)12(15)16-7/h2-6H,1H3.
What are the key properties of 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one?
2-methylpyrido[2,3-g][3,1]benzoxazin-4-one has a molecular weight of 212.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrido[2,3-g][3,1]benzoxazin-4-one is sourced from PubChem (CID 141167289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).