2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride

C12H14ClNO — CID 12730427

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
SMILESCC(C(=O)Cl)N1CCCc2ccccc21
InChIInChI=1S/C12H14ClNO/c1-9(12(13)15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyYQVUNZWLQVEBNY-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.59
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride

2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride (PubChem CID 12730427) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
PubChem CID12730427
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
SMILESCC(C(=O)Cl)N1CCCc2ccccc21
InChIInChI=1S/C12H14ClNO/c1-9(12(13)15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyYQVUNZWLQVEBNY-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride (CID 12730427) is 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride is CC(C(=O)Cl)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride?
The InChIKey is YQVUNZWLQVEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9(12(13)15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride?
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride has a molecular weight of 223.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride is sourced from PubChem (CID 12730427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).