(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone

C36H38N2O3 — CID 20822826

IUPAC(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C36H38N2O3/c1-4-7-14-26-24-33(38-30-18-11-8-15-27(30)28-16-9-12-19-31(28)38)29-17-10-13-20-32(29)37(26)36(39)25-21-22-34(40-5-2)35(23-25)41-6-3/h8-13,15-23,26,33H,4-7,14,24H2,1-3H3
InChIKeyGKOAUYAVKIHMRR-UHFFFAOYSA-N
MW546.71 g/mol
LogP8.79
Rot. Bonds9

About (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone

(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone (PubChem CID 20822826) has the molecular formula C36H38N2O3 and a molecular weight of 546.71 g/mol. Its IUPAC name is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone
PubChem CID20822826
Molecular FormulaC36H38N2O3
Molecular Weight546.71 g/mol
Exact Mass546.29
IUPAC Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C36H38N2O3/c1-4-7-14-26-24-33(38-30-18-11-8-15-27(30)28-16-9-12-19-31(28)38)29-17-10-13-20-32(29)37(26)36(39)25-21-22-34(40-5-2)35(23-25)41-6-3/h8-13,15-23,26,33H,4-7,14,24H2,1-3H3
InChIKeyGKOAUYAVKIHMRR-UHFFFAOYSA-N
XLogP8.79
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone?
The IUPAC name of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone (CID 20822826) is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone.
What is the SMILES notation for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone?
The canonical SMILES for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone is CCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone?
The InChIKey is GKOAUYAVKIHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O3/c1-4-7-14-26-24-33(38-30-18-11-8-15-27(30)28-16-9-12-19-31(28)38)29-17-10-13-20-32(29)37(26)36(39)25-21-22-34(40-5-2)35(23-25)41-6-3/h8-13,15-23,26,33H,4-7,14,24H2,1-3H3.
What are the key properties of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone?
(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone has a molecular weight of 546.71 g/mol, XLogP of 8.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone is sourced from PubChem (CID 20822826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).