2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone

C14H18ClNO — CID 82263545

IUPAC2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone
SMILESCCCN1CCCc2ccc(C(=O)CCl)cc21
InChIInChI=1S/C14H18ClNO/c1-2-7-16-8-3-4-11-5-6-12(9-13(11)16)14(17)10-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeySYEVYZIBPVMBQL-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone

2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone (PubChem CID 82263545) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone
PubChem CID82263545
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone
SMILESCCCN1CCCc2ccc(C(=O)CCl)cc21
InChIInChI=1S/C14H18ClNO/c1-2-7-16-8-3-4-11-5-6-12(9-13(11)16)14(17)10-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeySYEVYZIBPVMBQL-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
CID 82263541
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
azane;but-2-enedioic acid;6-chloro-1-propyl-2,3-dihydroindole
CID 70160075
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
CID 82341570
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
CID 82263573
methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
CID 6967900
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The IUPAC name of 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone (CID 82263545) is 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone is CCCN1CCCc2ccc(C(=O)CCl)cc21.
What is the InChIKey of 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
The InChIKey is SYEVYZIBPVMBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-7-16-8-3-4-11-5-6-12(9-13(11)16)14(17)10-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone?
2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone has a molecular weight of 251.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)ethanone is sourced from PubChem (CID 82263545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).