N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H17ClN2O2 — CID 63548864

IUPACN-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1Cc2ccccc2N(C(=O)NC(=O)C(C)Cl)C1
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11-5-3-4-6-12(11)17(8-9)14(19)16-13(18)10(2)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyWTOIPJJTTCDIIB-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.55
Rot. Bonds1

About N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 63548864) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID63548864
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1Cc2ccccc2N(C(=O)NC(=O)C(C)Cl)C1
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11-5-3-4-6-12(11)17(8-9)14(19)16-13(18)10(2)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyWTOIPJJTTCDIIB-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.55
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 N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 63548864) is N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is CC1Cc2ccccc2N(C(=O)NC(=O)C(C)Cl)C1.
What is the InChIKey of N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is WTOIPJJTTCDIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-7-11-5-3-4-6-12(11)17(8-9)14(19)16-13(18)10(2)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 63548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).