N-(5-chloropentyl)-N-methylquinoline-6-carboxamide

C16H19ClN2O — CID 107205485

IUPACN-(5-chloropentyl)-N-methylquinoline-6-carboxamide
SMILESCN(CCCCCCl)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H19ClN2O/c1-19(11-4-2-3-9-17)16(20)14-7-8-15-13(12-14)6-5-10-18-15/h5-8,10,12H,2-4,9,11H2,1H3
InChIKeyWEHZOLJGTNZJRJ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.72
Rot. Bonds6

About N-(5-chloropentyl)-N-methylquinoline-6-carboxamide

N-(5-chloropentyl)-N-methylquinoline-6-carboxamide (PubChem CID 107205485) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methylquinoline-6-carboxamide
PubChem CID107205485
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(5-chloropentyl)-N-methylquinoline-6-carboxamide
SMILESCN(CCCCCCl)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H19ClN2O/c1-19(11-4-2-3-9-17)16(20)14-7-8-15-13(12-14)6-5-10-18-15/h5-8,10,12H,2-4,9,11H2,1H3
InChIKeyWEHZOLJGTNZJRJ-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
CID 63394792
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
ethane;quinoline-6-carboxylic acid
CID 91364452
N-octylquinoline-6-carboxamide
CID 68863650
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(5-chloropentyl)-N-methylquinoline-6-carboxamide (CID 107205485) is N-(5-chloropentyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-N-methylquinoline-6-carboxamide is CN(CCCCCCl)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(5-chloropentyl)-N-methylquinoline-6-carboxamide?
The InChIKey is WEHZOLJGTNZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-4-2-3-9-17)16(20)14-7-8-15-13(12-14)6-5-10-18-15/h5-8,10,12H,2-4,9,11H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methylquinoline-6-carboxamide?
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 107205485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).