3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide

C14H14Cl2N2O — CID 63680758

IUPAC3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,8-15)13(19)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyJQPPXKCIKRDLJH-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.09
Rot. Bonds3

About 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide

3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide (PubChem CID 63680758) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
PubChem CID63680758
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14Cl2N2O/c1-14(2,8-15)13(19)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyJQPPXKCIKRDLJH-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide (CID 63680758) is 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide?
The InChIKey is JQPPXKCIKRDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-14(2,8-15)13(19)18-11-6-5-10(16)9-4-3-7-17-12(9)11/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide?
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide has a molecular weight of 297.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63680758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).