3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide

C13H12Cl2N2O — CID 82578414

IUPAC3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
SMILESCc1cc(CCC(N)=O)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H12Cl2N2O/c1-7-6-8(2-5-11(16)18)17-13-10(15)4-3-9(14)12(7)13/h3-4,6H,2,5H2,1H3,(H2,16,18)
InChIKeyFCJZVMAZXFAODP-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.27
Rot. Bonds3

About 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide

3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide (PubChem CID 82578414) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
PubChem CID82578414
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
SMILESCc1cc(CCC(N)=O)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H12Cl2N2O/c1-7-6-8(2-5-11(16)18)17-13-10(15)4-3-9(14)12(7)13/h3-4,6H,2,5H2,1H3,(H2,16,18)
InChIKeyFCJZVMAZXFAODP-UHFFFAOYSA-N
XLogP3.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,7-dichloro-4-methylquinolin-2-yl)propanamide
CID 82578415
2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575558
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
2-(7,8-dichloro-4-methylquinolin-2-yl)acetamide
CID 82575368
1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone
CID 82576214
4-(3,4-dichlorophenyl)butanamide
CID 47319689
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
CID 82251986
methyl 5,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574673
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315

Frequently Asked Questions

What is the IUPAC name of 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide?
The IUPAC name of 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide (CID 82578414) is 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide.
What is the SMILES notation for 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide?
The canonical SMILES for 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide is Cc1cc(CCC(N)=O)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide?
The InChIKey is FCJZVMAZXFAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-7-6-8(2-5-11(16)18)17-13-10(15)4-3-9(14)12(7)13/h3-4,6H,2,5H2,1H3,(H2,16,18).
What are the key properties of 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide?
3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide has a molecular weight of 283.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide is sourced from PubChem (CID 82578414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).