8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one

C23H26N2O2 — CID 58722906

IUPAC8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one
SMILESCc1c(Cc2ccccc2)c(=O)n(C)c2cc3c(cc12)OCCN3C(C)C
InChIInChI=1S/C23H26N2O2/c1-15(2)25-10-11-27-22-13-18-16(3)19(12-17-8-6-5-7-9-17)23(26)24(4)20(18)14-21(22)25/h5-9,13-15H,10-12H2,1-4H3
InChIKeyCKFVAYLXZSCQFW-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.04
Rot. Bonds3

About 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one

8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one (PubChem CID 58722906) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one
PubChem CID58722906
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one
SMILESCc1c(Cc2ccccc2)c(=O)n(C)c2cc3c(cc12)OCCN3C(C)C
InChIInChI=1S/C23H26N2O2/c1-15(2)25-10-11-27-22-13-18-16(3)19(12-17-8-6-5-7-9-17)23(26)24(4)20(18)14-21(22)25/h5-9,13-15H,10-12H2,1-4H3
InChIKeyCKFVAYLXZSCQFW-UHFFFAOYSA-N
XLogP4.04
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one?
The IUPAC name of 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one (CID 58722906) is 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one?
The canonical SMILES for 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one is Cc1c(Cc2ccccc2)c(=O)n(C)c2cc3c(cc12)OCCN3C(C)C.
What is the InChIKey of 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one?
The InChIKey is CKFVAYLXZSCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)25-10-11-27-22-13-18-16(3)19(12-17-8-6-5-7-9-17)23(26)24(4)20(18)14-21(22)25/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one?
8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one has a molecular weight of 362.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6,9-dimethyl-4-propan-2-yl-2,3-dihydropyrido[2,3-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 58722906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).