3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone

C18H16N2O — CID 43582707

IUPAC3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(15-7-3-8-16-14(15)10-11-19-16)20-12-4-6-13-5-1-2-9-17(13)20/h1-3,5,7-11,19H,4,6,12H2
InChIKeySBZSHANPAHIUSK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.76
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone

3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone (PubChem CID 43582707) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
PubChem CID43582707
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(15-7-3-8-16-14(15)10-11-19-16)20-12-4-6-13-5-1-2-9-17(13)20/h1-3,5,7-11,19H,4,6,12H2
InChIKeySBZSHANPAHIUSK-UHFFFAOYSA-N
XLogP3.76
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-2,3-dihydroindol-1-yl)-(1H-indol-4-yl)methanone
CID 103720917
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
CID 53011678
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
CID 113209001

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone (CID 43582707) is 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone?
The InChIKey is SBZSHANPAHIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(15-7-3-8-16-14(15)10-11-19-16)20-12-4-6-13-5-1-2-9-17(13)20/h1-3,5,7-11,19H,4,6,12H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone is sourced from PubChem (CID 43582707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).