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

C18H18N2O — CID 80566178

IUPAC2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CNc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C18H18N2O/c21-18(16-11-19-17-8-4-3-7-15(16)17)20-10-9-13-5-1-2-6-14(13)12-20/h1-8,16,19H,9-12H2
InChIKeyNHDLASKIOVEXON-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.78
Rot. Bonds1

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

2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 80566178) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID80566178
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CNc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C18H18N2O/c21-18(16-11-19-17-8-4-3-7-15(16)17)20-10-9-13-5-1-2-6-14(13)12-20/h1-8,16,19H,9-12H2
InChIKeyNHDLASKIOVEXON-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 80563359
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80564449
1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde
CID 54114540
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 80564716

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 80566178) is 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CNc2ccccc21)N1CCc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is NHDLASKIOVEXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(16-11-19-17-8-4-3-7-15(16)17)20-10-9-13-5-1-2-6-14(13)12-20/h1-8,16,19H,9-12H2.
What are the key properties of 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 80566178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).