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

C18H14N2O — CID 116594537

IUPAC2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CNc2ccccc21
InChIInChI=1S/C18H14N2O/c21-18(15-11-20-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15,20H,11H2
InChIKeyJEIIUPANPHQZDJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.63
Rot. Bonds2

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

2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone (PubChem CID 116594537) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
PubChem CID116594537
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CNc2ccccc21
InChIInChI=1S/C18H14N2O/c21-18(15-11-20-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15,20H,11H2
InChIKeyJEIIUPANPHQZDJ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
CID 105080984
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
CID 114963148
quinoline-3-carboxylate
CID 4608508
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
quinoline-3-carboxamide;hydrofluoride
CID 174911514
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone (CID 116594537) is 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone is O=C(c1cnc2ccccc2c1)C1CNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone?
The InChIKey is JEIIUPANPHQZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(15-11-20-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15,20H,11H2.
What are the key properties of 2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone?
2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 3.63, 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-3-yl(quinolin-3-yl)methanone is sourced from PubChem (CID 116594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).