5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline

C12H16ClN — CID 121382679

IUPAC5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2c(Cl)cccc21
InChIInChI=1S/C12H16ClN/c1-9(2)14-8-4-5-10-11(13)6-3-7-12(10)14/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyNEYIXXZKTIOECY-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.50
Rot. Bonds1

About 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline

5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382679) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382679
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2c(Cl)cccc21
InChIInChI=1S/C12H16ClN/c1-9(2)14-8-4-5-10-11(13)6-3-7-12(10)14/h3,6-7,9H,4-5,8H2,1-2H3
InChIKeyNEYIXXZKTIOECY-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
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1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
CID 135200255
4-chloro-1-[(1S)-1-phenylprop-2-enyl]-2,3-dihydroindole
CID 122230372
4-chloro-1-[(1S)-3-chloro-1-phenylpropyl]-2,3-dihydroindole
CID 88990099
1-(4-methoxybutan-2-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65056934
2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 119955425
1-propan-2-yl-4-pyridin-2-yl-2,3-dihydroindole
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382679) is 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is NEYIXXZKTIOECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(2)14-8-4-5-10-11(13)6-3-7-12(10)14/h3,6-7,9H,4-5,8H2,1-2H3.
What are the key properties of 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline?
5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 209.72 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).