N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide

C15H16Cl2N2O — CID 115960338

IUPACN-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16Cl2N2O/c1-15(2,3)19-14(20)12(17)10-6-7-11(16)9-5-4-8-18-13(9)10/h4-8,12H,1-3H3,(H,19,20)
InChIKeyMXNSXJQMUFVFRS-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.08
Rot. Bonds2

About N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide

N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide (PubChem CID 115960338) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
PubChem CID115960338
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16Cl2N2O/c1-15(2,3)19-14(20)12(17)10-6-7-11(16)9-5-4-8-18-13(9)10/h4-8,12H,1-3H3,(H,19,20)
InChIKeyMXNSXJQMUFVFRS-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.08
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

methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
CID 112618658
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
CID 114827717
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide?
The IUPAC name of N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide (CID 115960338) is N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide is CC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c2cccnc12.
What is the InChIKey of N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide?
The InChIKey is MXNSXJQMUFVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-15(2,3)19-14(20)12(17)10-6-7-11(16)9-5-4-8-18-13(9)10/h4-8,12H,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide?
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide has a molecular weight of 311.21 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide is sourced from PubChem (CID 115960338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).