8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one

C25H26N2O2 — CID 167193452

IUPAC8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCOc1cc2c(cc1C1=CCNCC1)C(=O)c1c([nH]c3cc(C)ccc13)C2(C)C
InChIInChI=1S/C25H26N2O2/c1-14-5-6-16-20(11-14)27-24-22(16)23(28)18-12-17(15-7-9-26-10-8-15)21(29-4)13-19(18)25(24,2)3/h5-7,11-13,26-27H,8-10H2,1-4H3
InChIKeyXPQIDQCAOPLVID-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.73
Rot. Bonds2

About 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one

8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one (PubChem CID 167193452) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
PubChem CID167193452
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCOc1cc2c(cc1C1=CCNCC1)C(=O)c1c([nH]c3cc(C)ccc13)C2(C)C
InChIInChI=1S/C25H26N2O2/c1-14-5-6-16-20(11-14)27-24-22(16)23(28)18-12-17(15-7-9-26-10-8-15)21(29-4)13-19(18)25(24,2)3/h5-7,11-13,26-27H,8-10H2,1-4H3
InChIKeyXPQIDQCAOPLVID-UHFFFAOYSA-N
XLogP4.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one (CID 167193452) is 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one is COc1cc2c(cc1C1=CCNCC1)C(=O)c1c([nH]c3cc(C)ccc13)C2(C)C.
What is the InChIKey of 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The InChIKey is XPQIDQCAOPLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-14-5-6-16-20(11-14)27-24-22(16)23(28)18-12-17(15-7-9-26-10-8-15)21(29-4)13-19(18)25(24,2)3/h5-7,11-13,26-27H,8-10H2,1-4H3.
What are the key properties of 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one has a molecular weight of 386.50 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 167193452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).