3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide

C15H18ClN3O — CID 104580103

IUPAC3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-15(2,8-13(17)20)19-9-10-5-6-12(16)11-4-3-7-18-14(10)11/h3-7,19H,8-9H2,1-2H3,(H2,17,20)
InChIKeyPQDXPDOCWLJNAZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.63
Rot. Bonds5

About 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide

3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide (PubChem CID 104580103) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
PubChem CID104580103
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-15(2,8-13(17)20)19-9-10-5-6-12(16)11-4-3-7-18-14(10)11/h3-7,19H,8-9H2,1-2H3,(H2,17,20)
InChIKeyPQDXPDOCWLJNAZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
CID 103774861
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
CID 95785918
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943
2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid
CID 167929353

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide (CID 104580103) is 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide?
The InChIKey is PQDXPDOCWLJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2,8-13(17)20)19-9-10-5-6-12(16)11-4-3-7-18-14(10)11/h3-7,19H,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide?
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide has a molecular weight of 291.78 g/mol, XLogP of 2.63, 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]-3-methylbutanamide is sourced from PubChem (CID 104580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).