1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one

C20H16N2O — CID 160546260

IUPAC1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
SMILESCCC(=O)c1cccc2nc(-c3c[nH]c4ccccc34)ccc12
InChIInChI=1S/C20H16N2O/c1-2-20(23)15-7-5-9-18-14(15)10-11-19(22-18)16-12-21-17-8-4-3-6-13(16)17/h3-12,21H,2H2,1H3
InChIKeyURRRHZTUMTWBMI-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.98
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one

1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one (PubChem CID 160546260) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
PubChem CID160546260
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
SMILESCCC(=O)c1cccc2nc(-c3c[nH]c4ccccc34)ccc12
InChIInChI=1S/C20H16N2O/c1-2-20(23)15-7-5-9-18-14(15)10-11-19(22-18)16-12-21-17-8-4-3-6-13(16)17/h3-12,21H,2H2,1H3
InChIKeyURRRHZTUMTWBMI-UHFFFAOYSA-N
XLogP4.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160782222
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
CID 174735323
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
2-(5,6-difluoro-1H-indol-3-yl)-N-iodoquinoline-5-carboxamide
CID 118449913
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 118449725
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one (CID 160546260) is 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one is CCC(=O)c1cccc2nc(-c3c[nH]c4ccccc34)ccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one?
The InChIKey is URRRHZTUMTWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-20(23)15-7-5-9-18-14(15)10-11-19(22-18)16-12-21-17-8-4-3-6-13(16)17/h3-12,21H,2H2,1H3.
What are the key properties of 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one?
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one is sourced from PubChem (CID 160546260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).