3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide

C15H17ClN2O — CID 63666962

IUPAC3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
SMILESCc1ccc2cccc(NC(=O)C(C)(C)CCl)c2n1
InChIInChI=1S/C15H17ClN2O/c1-10-7-8-11-5-4-6-12(13(11)17-10)18-14(19)15(2,3)9-16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyAYIWYSHXVWRMHX-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.75
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide

3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide (PubChem CID 63666962) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
PubChem CID63666962
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
SMILESCc1ccc2cccc(NC(=O)C(C)(C)CCl)c2n1
InChIInChI=1S/C15H17ClN2O/c1-10-7-8-11-5-4-6-12(13(11)17-10)18-14(19)15(2,3)9-16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyAYIWYSHXVWRMHX-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.75
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

3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
4-(ethylamino)-N-(2-methylquinolin-8-yl)benzamide
CID 118902356
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 2767546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide (CID 63666962) is 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide is Cc1ccc2cccc(NC(=O)C(C)(C)CCl)c2n1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide?
The InChIKey is AYIWYSHXVWRMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-7-8-11-5-4-6-12(13(11)17-10)18-14(19)15(2,3)9-16/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide?
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide has a molecular weight of 276.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide is sourced from PubChem (CID 63666962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).