3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

C18H22N2O — CID 135353973

IUPAC3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESc1cnc2c3c(ccc2c1)CN(CC1CCCCC1)CO3
InChIInChI=1S/C18H22N2O/c1-2-5-14(6-3-1)11-20-12-16-9-8-15-7-4-10-19-17(15)18(16)21-13-20/h4,7-10,14H,1-3,5-6,11-13H2
InChIKeyMBTVIQNLVDGUNC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.97
Rot. Bonds2

About 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (PubChem CID 135353973) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
PubChem CID135353973
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESc1cnc2c3c(ccc2c1)CN(CC1CCCCC1)CO3
InChIInChI=1S/C18H22N2O/c1-2-5-14(6-3-1)11-20-12-16-9-8-15-7-4-10-19-17(15)18(16)21-13-20/h4,7-10,14H,1-3,5-6,11-13H2
InChIKeyMBTVIQNLVDGUNC-UHFFFAOYSA-N
XLogP3.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The IUPAC name of 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (CID 135353973) is 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.
What is the SMILES notation for 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The canonical SMILES for 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is c1cnc2c3c(ccc2c1)CN(CC1CCCCC1)CO3.
What is the InChIKey of 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The InChIKey is MBTVIQNLVDGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-5-14(6-3-1)11-20-12-16-9-8-15-7-4-10-19-17(15)18(16)21-13-20/h4,7-10,14H,1-3,5-6,11-13H2.
What are the key properties of 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine has a molecular weight of 282.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is sourced from PubChem (CID 135353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).