6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide

C36H34N4O3 — CID 144721744

IUPAC6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide
SMILESCCCn1c2ccc(C#N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(C(C)=O)cc2c2cc(C(N)=O)ccc21
InChIInChI=1S/C18H18N2O2.C18H16N2O/c1-3-8-20-16-6-4-12(11(2)21)9-14(16)15-10-13(18(19)22)5-7-17(15)20;1-3-8-20-17-6-4-13(11-19)9-15(17)16-10-14(12(2)21)5-7-18(16)20/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22);4-7,9-10H,3,8H2,1-2H3
InChIKeyYREHKLCUCAXZGO-UHFFFAOYSA-N
MW570.69 g/mol
LogP7.78
Rot. Bonds7

About 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide

6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide (PubChem CID 144721744) has the molecular formula C36H34N4O3 and a molecular weight of 570.69 g/mol. Its IUPAC name is 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide
PubChem CID144721744
Molecular FormulaC36H34N4O3
Molecular Weight570.69 g/mol
Exact Mass570.26
IUPAC Name6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide
SMILESCCCn1c2ccc(C#N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(C(C)=O)cc2c2cc(C(N)=O)ccc21
InChIInChI=1S/C18H18N2O2.C18H16N2O/c1-3-8-20-16-6-4-12(11(2)21)9-14(16)15-10-13(18(19)22)5-7-17(15)20;1-3-8-20-17-6-4-13(11-19)9-15(17)16-10-14(12(2)21)5-7-18(16)20/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22);4-7,9-10H,3,8H2,1-2H3
InChIKeyYREHKLCUCAXZGO-UHFFFAOYSA-N
XLogP7.78
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
Lly-507
CID 91623361
EG-018
CID 118796466
3-((Acetyl-Methyl-Amino)-Methyl)-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide
CID 447018
Cblc137
CID 44519123
3,6-Diacetyl-9-ethylcarbazole
CID 622083
EG-2201
CID 118796499
5-cyano-2-{[5-cyano-1-methyl-3-(phenylcarbamoyl)-1H-indol-2-yl]disulfanyl}-1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 5328605
3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 9851789
3-Cyano-1-(4-pyrrolidin-1-yl-benzoyl)-pyrrolo[1,2-a]quinoline
CID 9842061
3-methyl-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
CID 16065829
9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 44519134

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide?
The IUPAC name of 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide (CID 144721744) is 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide.
What is the SMILES notation for 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide?
The canonical SMILES for 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide is CCCn1c2ccc(C#N)cc2c2cc(C(C)=O)ccc21.CCCn1c2ccc(C(C)=O)cc2c2cc(C(N)=O)ccc21.
What is the InChIKey of 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide?
The InChIKey is YREHKLCUCAXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.C18H16N2O/c1-3-8-20-16-6-4-12(11(2)21)9-14(16)15-10-13(18(19)22)5-7-17(15)20;1-3-8-20-17-6-4-13(11-19)9-15(17)16-10-14(12(2)21)5-7-18(16)20/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22);4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide?
6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide has a molecular weight of 570.69 g/mol, XLogP of 7.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-9-propylcarbazole-3-carbonitrile;6-acetyl-9-propylcarbazole-3-carboxamide is sourced from PubChem (CID 144721744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).