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

C34H34N2O2S — CID 20822827

IUPAC(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1
InChIInChI=1S/C34H34N2O2S/c1-4-5-12-24-22-31(36-28-16-9-6-13-25(28)26-14-7-10-17-29(26)36)27-15-8-11-18-30(27)35(24)34(37)23-19-20-33(39-3)32(21-23)38-2/h6-11,13-21,24,31H,4-5,12,22H2,1-3H3
InChIKeyCVZQHAKHLMEGAB-UHFFFAOYSA-N
MW534.73 g/mol
LogP8.72
Rot. Bonds7

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

(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone (PubChem CID 20822827) has the molecular formula C34H34N2O2S and a molecular weight of 534.73 g/mol. Its IUPAC name is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
PubChem CID20822827
Molecular FormulaC34H34N2O2S
Molecular Weight534.73 g/mol
Exact Mass534.23
IUPAC Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1
InChIInChI=1S/C34H34N2O2S/c1-4-5-12-24-22-31(36-28-16-9-6-13-25(28)26-14-7-10-17-29(26)36)27-15-8-11-18-30(27)35(24)34(37)23-19-20-33(39-3)32(21-23)38-2/h6-11,13-21,24,31H,4-5,12,22H2,1-3H3
InChIKeyCVZQHAKHLMEGAB-UHFFFAOYSA-N
XLogP8.72
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.73
LogP ≤ 58.72
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-methoxy-4-methylsulfanylphenyl)methanone?
The IUPAC name of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone (CID 20822827) is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone is CCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1.
What is the InChIKey of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
The InChIKey is CVZQHAKHLMEGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2S/c1-4-5-12-24-22-31(36-28-16-9-6-13-25(28)26-14-7-10-17-29(26)36)27-15-8-11-18-30(27)35(24)34(37)23-19-20-33(39-3)32(21-23)38-2/h6-11,13-21,24,31H,4-5,12,22H2,1-3H3.
What are the key properties of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone has a molecular weight of 534.73 g/mol, XLogP of 8.72, 7 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-methoxy-4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 20822827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).