(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one

C23H24N2O — CID 146175601

IUPAC(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C(C(C)C)=C/C1=C/C1=NCCC2=c3ccc(C)cc3=NC12
InChIInChI=1S/C23H24N2O/c1-13(2)19-11-16(15(4)10-22(19)26)12-21-23-18(7-8-24-21)17-6-5-14(3)9-20(17)25-23/h5-6,9-13,23H,7-8H2,1-4H3/b16-12-
InChIKeyQJOBBFQKAYFQDY-VBKFSLOCSA-N
MW344.46 g/mol
LogP3.03
Rot. Bonds2

About (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one

(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one (PubChem CID 146175601) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one
PubChem CID146175601
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C(C(C)C)=C/C1=C/C1=NCCC2=c3ccc(C)cc3=NC12
InChIInChI=1S/C23H24N2O/c1-13(2)19-11-16(15(4)10-22(19)26)12-21-23-18(7-8-24-21)17-6-5-14(3)9-20(17)25-23/h5-6,9-13,23H,7-8H2,1-4H3/b16-12-
InChIKeyQJOBBFQKAYFQDY-VBKFSLOCSA-N
XLogP3.03
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one (CID 146175601) is (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one is CC1=CC(=O)C(C(C)C)=C/C1=C/C1=NCCC2=c3ccc(C)cc3=NC12.
What is the InChIKey of (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one?
The InChIKey is QJOBBFQKAYFQDY-VBKFSLOCSA-N. The full InChI is InChI=1S/C23H24N2O/c1-13(2)19-11-16(15(4)10-22(19)26)12-21-23-18(7-8-24-21)17-6-5-14(3)9-20(17)25-23/h5-6,9-13,23H,7-8H2,1-4H3/b16-12-.
What are the key properties of (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one?
(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one has a molecular weight of 344.46 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 146175601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).