7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine

C18H14N2O — CID 134527326

IUPAC7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1ccccc1)c1ccncc1O2
InChIInChI=1S/C18H14N2O/c1-13-7-8-17-16(11-13)20(14-5-3-2-4-6-14)15-9-10-19-12-18(15)21-17/h2-12H,1H3
InChIKeyLUIBTOVCKAGZFR-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.97
Rot. Bonds1

About 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine

7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine (PubChem CID 134527326) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
PubChem CID134527326
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1ccccc1)c1ccncc1O2
InChIInChI=1S/C18H14N2O/c1-13-7-8-17-16(11-13)20(14-5-3-2-4-6-14)15-9-10-19-12-18(15)21-17/h2-12H,1H3
InChIKeyLUIBTOVCKAGZFR-UHFFFAOYSA-N
XLogP4.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 135159317
9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59344129
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
ethane;10-phenylphenoxazine
CID 123756019
8-methyl-5-phenylpyrido[2,3-b][1,4]benzoxazine
CID 135159479
4,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 163572005
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine
CID 159316023
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
2,8,10-trimethylphenoxazine
CID 20781562

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine?
The IUPAC name of 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine (CID 134527326) is 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine?
The canonical SMILES for 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine is Cc1ccc2c(c1)N(c1ccccc1)c1ccncc1O2.
What is the InChIKey of 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine?
The InChIKey is LUIBTOVCKAGZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-7-8-17-16(11-13)20(14-5-3-2-4-6-14)15-9-10-19-12-18(15)21-17/h2-12H,1H3.
What are the key properties of 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine?
7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine has a molecular weight of 274.32 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 134527326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).