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

C14H17ClN2O2 — CID 18071415

IUPAC1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCC1c2ccccc2N(C(=O)CCl)C(C)C1C(N)=O
InChIInChI=1S/C14H17ClN2O2/c1-8-10-5-3-4-6-11(10)17(12(18)7-15)9(2)13(8)14(16)19/h3-6,8-9,13H,7H2,1-2H3,(H2,16,19)
InChIKeyLBYYFNXJAISYDD-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.87
Rot. Bonds2

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

1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 18071415) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID18071415
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCC1c2ccccc2N(C(=O)CCl)C(C)C1C(N)=O
InChIInChI=1S/C14H17ClN2O2/c1-8-10-5-3-4-6-11(10)17(12(18)7-15)9(2)13(8)14(16)19/h3-6,8-9,13H,7H2,1-2H3,(H2,16,19)
InChIKeyLBYYFNXJAISYDD-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide (CID 18071415) is 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide is CC1c2ccccc2N(C(=O)CCl)C(C)C1C(N)=O.
What is the InChIKey of 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is LBYYFNXJAISYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-8-10-5-3-4-6-11(10)17(12(18)7-15)9(2)13(8)14(16)19/h3-6,8-9,13H,7H2,1-2H3,(H2,16,19).
What are the key properties of 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide?
1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 18071415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).