2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone

C18H14N2O — CID 116554096

IUPAC2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1cnc2ccccc2c1
InChIInChI=1S/C18H14N2O/c21-18(14-5-6-17-13(9-14)7-8-19-17)15-10-12-3-1-2-4-16(12)20-11-15/h1-6,9-11,19H,7-8H2
InChIKeyNAFTXHACDGZSJO-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.43
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone

2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone (PubChem CID 116554096) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
PubChem CID116554096
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)c1cnc2ccccc2c1
InChIInChI=1S/C18H14N2O/c21-18(14-5-6-17-13(9-14)7-8-19-17)15-10-12-3-1-2-4-16(12)20-11-15/h1-6,9-11,19H,7-8H2
InChIKeyNAFTXHACDGZSJO-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Indoramin
CID 33625
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
1H-indole-3-carboxamide
CID 2192542
Indole-5-carboxamide
CID 14973220
3-Acetylindole
CID 12802
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone (CID 116554096) is 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone is O=C(c1ccc2c(c1)CCN2)c1cnc2ccccc2c1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone?
The InChIKey is NAFTXHACDGZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(14-5-6-17-13(9-14)7-8-19-17)15-10-12-3-1-2-4-16(12)20-11-15/h1-6,9-11,19H,7-8H2.
What are the key properties of 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone?
2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone is sourced from PubChem (CID 116554096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).