10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole

C23H22N2O — CID 46702549

IUPAC10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
SMILESCc1ccc(CN2COc3cc4c(cc3C2)c2ccccc2n4C)cc1
InChIInChI=1S/C23H22N2O/c1-16-7-9-17(10-8-16)13-25-14-18-11-20-19-5-3-4-6-21(19)24(2)22(20)12-23(18)26-15-25/h3-12H,13-15H2,1-2H3
InChIKeyAODPSCXEEFEKEO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.99
Rot. Bonds2

About 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole

10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole (PubChem CID 46702549) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole.

Molecular Properties

Compound Name10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
PubChem CID46702549
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
SMILESCc1ccc(CN2COc3cc4c(cc3C2)c2ccccc2n4C)cc1
InChIInChI=1S/C23H22N2O/c1-16-7-9-17(10-8-16)13-25-14-18-11-20-19-5-3-4-6-21(19)24(2)22(20)12-23(18)26-15-25/h3-12H,13-15H2,1-2H3
InChIKeyAODPSCXEEFEKEO-UHFFFAOYSA-N
XLogP4.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The IUPAC name of 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole (CID 46702549) is 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole.
What is the SMILES notation for 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The canonical SMILES for 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole is Cc1ccc(CN2COc3cc4c(cc3C2)c2ccccc2n4C)cc1.
What is the InChIKey of 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
The InChIKey is AODPSCXEEFEKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-7-9-17(10-8-16)13-25-14-18-11-20-19-5-3-4-6-21(19)24(2)22(20)12-23(18)26-15-25/h3-12H,13-15H2,1-2H3.
What are the key properties of 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole?
10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole has a molecular weight of 342.44 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole is sourced from PubChem (CID 46702549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).