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

C32H30N2O2S — CID 20822870

IUPAC(4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
SMILESCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1
InChIInChI=1S/C32H30N2O2S/c1-4-22-20-29(34-26-14-8-5-11-23(26)24-12-6-9-15-27(24)34)25-13-7-10-16-28(25)33(22)32(35)21-17-18-31(37-3)30(19-21)36-2/h5-19,22,29H,4,20H2,1-3H3
InChIKeyATZJALHTSGOIIF-UHFFFAOYSA-N
MW506.67 g/mol
LogP7.94
Rot. Bonds5

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

(4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone (PubChem CID 20822870) has the molecular formula C32H30N2O2S and a molecular weight of 506.67 g/mol. Its IUPAC name is (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
PubChem CID20822870
Molecular FormulaC32H30N2O2S
Molecular Weight506.67 g/mol
Exact Mass506.20
IUPAC Name(4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
SMILESCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1
InChIInChI=1S/C32H30N2O2S/c1-4-22-20-29(34-26-14-8-5-11-23(26)24-12-6-9-15-27(24)34)25-13-7-10-16-28(25)33(22)32(35)21-17-18-31(37-3)30(19-21)36-2/h5-19,22,29H,4,20H2,1-3H3
InChIKeyATZJALHTSGOIIF-UHFFFAOYSA-N
XLogP7.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
The IUPAC name of (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone (CID 20822870) is (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
The canonical SMILES for (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone is CCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(SC)c(OC)c1.
What is the InChIKey of (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
The InChIKey is ATZJALHTSGOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2S/c1-4-22-20-29(34-26-14-8-5-11-23(26)24-12-6-9-15-27(24)34)25-13-7-10-16-28(25)33(22)32(35)21-17-18-31(37-3)30(19-21)36-2/h5-19,22,29H,4,20H2,1-3H3.
What are the key properties of (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone?
(4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone has a molecular weight of 506.67 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbazol-9-yl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 20822870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).