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

C17H16N2 — CID 70171146

IUPAC1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2/c1-3-9-15-14(7-1)12-17(18-15)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,12,18H,5,8,11H2
InChIKeyVPHMINUTGPAYAG-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.25
Rot. Bonds1

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

1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline (PubChem CID 70171146) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
PubChem CID70171146
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2/c1-3-9-15-14(7-1)12-17(18-15)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,12,18H,5,8,11H2
InChIKeyVPHMINUTGPAYAG-UHFFFAOYSA-N
XLogP4.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-(1H-indol-2-yl)pyrrolidine-2,5-dione
CID 163731271
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
CID 93077064
[6-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073397
4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine
CID 103552452
1-(1H-imidazol-5-yl)-2,3-dihydroindole
CID 54328631
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline (CID 70171146) is 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is VPHMINUTGPAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-3-9-15-14(7-1)12-17(18-15)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,12,18H,5,8,11H2.
What are the key properties of 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline?
1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 248.33 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70171146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).