4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile

C23H13ClN2O2 — CID 57384746

IUPAC4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile
SMILESCc1ccc2[nH]c3c(ccc4c(-c5ccc(Cl)cc5)c(C#N)c(=O)oc43)c2c1
InChIInChI=1S/C23H13ClN2O2/c1-12-2-9-19-17(10-12)15-7-8-16-20(13-3-5-14(24)6-4-13)18(11-25)23(27)28-22(16)21(15)26-19/h2-10,26H,1H3
InChIKeyMWJJGQXWKGTBQT-UHFFFAOYSA-N
MW384.82 g/mol
LogP5.93
Rot. Bonds1

About 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile

4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile (PubChem CID 57384746) has the molecular formula C23H13ClN2O2 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile
PubChem CID57384746
Molecular FormulaC23H13ClN2O2
Molecular Weight384.82 g/mol
Exact Mass384.07
IUPAC Name4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile
SMILESCc1ccc2[nH]c3c(ccc4c(-c5ccc(Cl)cc5)c(C#N)c(=O)oc43)c2c1
InChIInChI=1S/C23H13ClN2O2/c1-12-2-9-19-17(10-12)15-7-8-16-20(13-3-5-14(24)6-4-13)18(11-25)23(27)28-22(16)21(15)26-19/h2-10,26H,1H3
InChIKeyMWJJGQXWKGTBQT-UHFFFAOYSA-N
XLogP5.93
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.82
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
CID 153408215
3-[3-(4-chlorophenyl)-5-methyl-1H-indol-2-yl]-4-hydroxychromen-2-one
CID 122394241
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
4-(3-methoxyphenyl)-2-oxo-7H-pyrano[2,3-e]indole-3-carbonitrile
CID 22229239
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
CID 71519236
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
11-chloro-2,3,7,8-tetraphenyl-6-oxa-16-azatetracyclo[11.2.1.05,15.09,14]hexadeca-1,3,5(15),7,9(14),10,12-heptaene-4-carbonitrile
CID 177440219
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
3,6-dimethyl-9H-carbazole
CID 144942624
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile (CID 57384746) is 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile is Cc1ccc2[nH]c3c(ccc4c(-c5ccc(Cl)cc5)c(C#N)c(=O)oc43)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile?
The InChIKey is MWJJGQXWKGTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN2O2/c1-12-2-9-19-17(10-12)15-7-8-16-20(13-3-5-14(24)6-4-13)18(11-25)23(27)28-22(16)21(15)26-19/h2-10,26H,1H3.
What are the key properties of 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile?
4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile has a molecular weight of 384.82 g/mol, XLogP of 5.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-3-carbonitrile is sourced from PubChem (CID 57384746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).