5-chloro-N-quinolin-6-ylpentanamide

C14H15ClN2O — CID 55097309

IUPAC5-chloro-N-quinolin-6-ylpentanamide
SMILESO=C(CCCCCl)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H15ClN2O/c15-8-2-1-5-14(18)17-12-6-7-13-11(10-12)4-3-9-16-13/h3-4,6-7,9-10H,1-2,5,8H2,(H,17,18)
InChIKeyLXBHKWCDOPHGJW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.58
Rot. Bonds5

About 5-chloro-N-quinolin-6-ylpentanamide

5-chloro-N-quinolin-6-ylpentanamide (PubChem CID 55097309) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-N-quinolin-6-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-quinolin-6-ylpentanamide
PubChem CID55097309
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-chloro-N-quinolin-6-ylpentanamide
SMILESO=C(CCCCCl)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H15ClN2O/c15-8-2-1-5-14(18)17-12-6-7-13-11(10-12)4-3-9-16-13/h3-4,6-7,9-10H,1-2,5,8H2,(H,17,18)
InChIKeyLXBHKWCDOPHGJW-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N,N'-di(acridin-2-yl)hexanediamide
CID 15711228
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
4-(4-phenylpiperazin-1-yl)-N-quinolin-6-ylbutanamide
CID 45136832
ethane;N-quinolin-7-ylpentanamide
CID 156648097
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
CID 78887675
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
N-quinolin-6-ylbenzamide
CID 833617
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-quinolin-6-ylpentanamide?
The IUPAC name of 5-chloro-N-quinolin-6-ylpentanamide (CID 55097309) is 5-chloro-N-quinolin-6-ylpentanamide.
What is the SMILES notation for 5-chloro-N-quinolin-6-ylpentanamide?
The canonical SMILES for 5-chloro-N-quinolin-6-ylpentanamide is O=C(CCCCCl)Nc1ccc2ncccc2c1.
What is the InChIKey of 5-chloro-N-quinolin-6-ylpentanamide?
The InChIKey is LXBHKWCDOPHGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-8-2-1-5-14(18)17-12-6-7-13-11(10-12)4-3-9-16-13/h3-4,6-7,9-10H,1-2,5,8H2,(H,17,18).
What are the key properties of 5-chloro-N-quinolin-6-ylpentanamide?
5-chloro-N-quinolin-6-ylpentanamide has a molecular weight of 262.74 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-quinolin-6-ylpentanamide is sourced from PubChem (CID 55097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).