3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide

C15H18ClN3O — CID 103765788

IUPAC3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1ccc(Cl)c2cccnc12)C(N)=O
InChIInChI=1S/C15H18ClN3O/c1-15(2,14(17)20)9-18-8-10-5-6-12(16)11-4-3-7-19-13(10)11/h3-7,18H,8-9H2,1-2H3,(H2,17,20)
InChIKeyRGEVJBZHTLYNSS-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.49
Rot. Bonds5

About 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide

3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide (PubChem CID 103765788) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
PubChem CID103765788
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1ccc(Cl)c2cccnc12)C(N)=O
InChIInChI=1S/C15H18ClN3O/c1-15(2,14(17)20)9-18-8-10-5-6-12(16)11-4-3-7-19-13(10)11/h3-7,18H,8-9H2,1-2H3,(H2,17,20)
InChIKeyRGEVJBZHTLYNSS-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide (CID 103765788) is 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide is CC(C)(CNCc1ccc(Cl)c2cccnc12)C(N)=O.
What is the InChIKey of 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide?
The InChIKey is RGEVJBZHTLYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2,14(17)20)9-18-8-10-5-6-12(16)11-4-3-7-19-13(10)11/h3-7,18H,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide?
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103765788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).