2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H25N3 — CID 90293934

IUPAC2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C1/Cc2nc(C)ccc21)n1c2c(c3cc(C)ccc31)CN(C)CC2
InChIInChI=1S/C23H25N3/c1-14-5-8-22-19(11-14)20-13-25(4)10-9-23(20)26(22)16(3)18-12-21-17(18)7-6-15(2)24-21/h5-8,11H,9-10,12-13H2,1-4H3/b18-16+
InChIKeyHVYFQNVQFHNCQQ-FBMGVBCBSA-N
MW343.47 g/mol
LogP4.59
Rot. Bonds1

About 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 90293934) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID90293934
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C1/Cc2nc(C)ccc21)n1c2c(c3cc(C)ccc31)CN(C)CC2
InChIInChI=1S/C23H25N3/c1-14-5-8-22-19(11-14)20-13-25(4)10-9-23(20)26(22)16(3)18-12-21-17(18)7-6-15(2)24-21/h5-8,11H,9-10,12-13H2,1-4H3/b18-16+
InChIKeyHVYFQNVQFHNCQQ-FBMGVBCBSA-N
XLogP4.59
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 90293934) is 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C1/Cc2nc(C)ccc21)n1c2c(c3cc(C)ccc31)CN(C)CC2.
What is the InChIKey of 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is HVYFQNVQFHNCQQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C23H25N3/c1-14-5-8-22-19(11-14)20-13-25(4)10-9-23(20)26(22)16(3)18-12-21-17(18)7-6-15(2)24-21/h5-8,11H,9-10,12-13H2,1-4H3/b18-16+.
What are the key properties of 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 343.47 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(1E)-1-(3-methyl-2-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-ylidene)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 90293934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).