3-(2-propyl-1H-inden-4-yl)quinoline

C21H19N — CID 159825483

IUPAC3-(2-propyl-1H-inden-4-yl)quinoline
SMILESCCCC1=Cc2c(cccc2-c2cnc3ccccc3c2)C1
InChIInChI=1S/C21H19N/c1-2-6-15-11-16-8-5-9-19(20(16)12-15)18-13-17-7-3-4-10-21(17)22-14-18/h3-5,7-10,12-14H,2,6,11H2,1H3
InChIKeyBATPEAIFMLFCQL-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.64
Rot. Bonds3

About 3-(2-propyl-1H-inden-4-yl)quinoline

3-(2-propyl-1H-inden-4-yl)quinoline (PubChem CID 159825483) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-propyl-1H-inden-4-yl)quinoline.

Molecular Properties

Compound Name3-(2-propyl-1H-inden-4-yl)quinoline
PubChem CID159825483
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name3-(2-propyl-1H-inden-4-yl)quinoline
SMILESCCCC1=Cc2c(cccc2-c2cnc3ccccc3c2)C1
InChIInChI=1S/C21H19N/c1-2-6-15-11-16-8-5-9-19(20(16)12-15)18-13-17-7-3-4-10-21(17)22-14-18/h3-5,7-10,12-14H,2,6,11H2,1H3
InChIKeyBATPEAIFMLFCQL-UHFFFAOYSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
2-quinolin-3-ylaniline
CID 4134401
3-(2,3-dichlorophenyl)quinoline
CID 175328556
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67501721
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
CID 23105539
4-phenyl-6-propan-2-yl-2-propyl-1H-indene
CID 158001235
4-quinolin-3-yl-2,1,3-benzoxadiazole
CID 91463499
2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
CID 87475663

Frequently Asked Questions

What is the IUPAC name of 3-(2-propyl-1H-inden-4-yl)quinoline?
The IUPAC name of 3-(2-propyl-1H-inden-4-yl)quinoline (CID 159825483) is 3-(2-propyl-1H-inden-4-yl)quinoline.
What is the SMILES notation for 3-(2-propyl-1H-inden-4-yl)quinoline?
The canonical SMILES for 3-(2-propyl-1H-inden-4-yl)quinoline is CCCC1=Cc2c(cccc2-c2cnc3ccccc3c2)C1.
What is the InChIKey of 3-(2-propyl-1H-inden-4-yl)quinoline?
The InChIKey is BATPEAIFMLFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-6-15-11-16-8-5-9-19(20(16)12-15)18-13-17-7-3-4-10-21(17)22-14-18/h3-5,7-10,12-14H,2,6,11H2,1H3.
What are the key properties of 3-(2-propyl-1H-inden-4-yl)quinoline?
3-(2-propyl-1H-inden-4-yl)quinoline has a molecular weight of 285.39 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-1H-inden-4-yl)quinoline is sourced from PubChem (CID 159825483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).