2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide

C14H16ClN3O — CID 112617733

IUPAC2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-9(14(19)16-2)18-8-10-5-6-12(15)11-4-3-7-17-13(10)11/h3-7,9,18H,8H2,1-2H3,(H,16,19)
InChIKeyWYOQUDSPRKAQOB-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.11
Rot. Bonds4

About 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide

2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide (PubChem CID 112617733) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
PubChem CID112617733
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-9(14(19)16-2)18-8-10-5-6-12(15)11-4-3-7-17-13(10)11/h3-7,9,18H,8H2,1-2H3,(H,16,19)
InChIKeyWYOQUDSPRKAQOB-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 115697482
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide (CID 112617733) is 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide?
The InChIKey is WYOQUDSPRKAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(14(19)16-2)18-8-10-5-6-12(15)11-4-3-7-17-13(10)11/h3-7,9,18H,8H2,1-2H3,(H,16,19).
What are the key properties of 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide?
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide has a molecular weight of 277.75 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 112617733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).