1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C14H17ClN2O2 — CID 167804593

IUPAC1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)CCl
InChIInChI=1S/C14H17ClN2O2/c1-16(2)14(19)11-5-6-12-10(8-11)4-3-7-17(12)13(18)9-15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeySMAFULYHVTZNJF-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 167804593) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID167804593
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)CCl
InChIInChI=1S/C14H17ClN2O2/c1-16(2)14(19)11-5-6-12-10(8-11)4-3-7-17(12)13(18)9-15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeySMAFULYHVTZNJF-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.91
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

1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 82341227
N-(1-benzylimidazol-4-yl)-1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 170709749
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115348069
N-methyl-N-(2-phenylethyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413225
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 167804593) is 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)CCl.
What is the InChIKey of 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is SMAFULYHVTZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-16(2)14(19)11-5-6-12-10(8-11)4-3-7-17(12)13(18)9-15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 167804593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).