4-chloro-N-methyl-N-pentylquinoline-2-carboxamide

C16H19ClN2O — CID 63376032

IUPAC4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2O/c1-3-4-7-10-19(2)16(20)15-11-13(17)12-8-5-6-9-14(12)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyIHTQLALZJPZLET-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide

4-chloro-N-methyl-N-pentylquinoline-2-carboxamide (PubChem CID 63376032) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
PubChem CID63376032
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2O/c1-3-4-7-10-19(2)16(20)15-11-13(17)12-8-5-6-9-14(12)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyIHTQLALZJPZLET-UHFFFAOYSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide
CID 63375517
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737
4-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-2-carboxamide
CID 64511871
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
CID 63376080
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-2-decylquinoline
CID 171487257
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide (CID 63376032) is 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide is CCCCCN(C)C(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide?
The InChIKey is IHTQLALZJPZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-4-7-10-19(2)16(20)15-11-13(17)12-8-5-6-9-14(12)18-15/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide?
4-chloro-N-methyl-N-pentylquinoline-2-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-pentylquinoline-2-carboxamide is sourced from PubChem (CID 63376032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).