2-chloro-N,N-dipropylquinoline-4-carboxamide

C16H19ClN2O — CID 11426314

IUPAC2-chloro-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H19ClN2O/c1-3-9-19(10-4-2)16(20)13-11-15(17)18-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyOSYIXHRVDLCLES-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.15
Rot. Bonds5

About 2-chloro-N,N-dipropylquinoline-4-carboxamide

2-chloro-N,N-dipropylquinoline-4-carboxamide (PubChem CID 11426314) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-N,N-dipropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-dipropylquinoline-4-carboxamide
PubChem CID11426314
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H19ClN2O/c1-3-9-19(10-4-2)16(20)13-11-15(17)18-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyOSYIXHRVDLCLES-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylacridine-9-carboxamide
CID 170440983
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-ethyl-2-hydrazinyl-N-propylquinoline-4-carboxamide
CID 62242819
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dipropylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N,N-dipropylquinoline-4-carboxamide (CID 11426314) is 2-chloro-N,N-dipropylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dipropylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N,N-dipropylquinoline-4-carboxamide is CCCN(CCC)C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N,N-dipropylquinoline-4-carboxamide?
The InChIKey is OSYIXHRVDLCLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-9-19(10-4-2)16(20)13-11-15(17)18-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-chloro-N,N-dipropylquinoline-4-carboxamide?
2-chloro-N,N-dipropylquinoline-4-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 2-chloro-N,N-dipropylquinoline-4-carboxamide is sourced from PubChem (CID 11426314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).