N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide

C13H11ClF2N2O — CID 91448137

IUPACN-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc2cc(F)cc(F)c2c(Cl)c1C
InChIInChI=1S/C13H11ClF2N2O/c1-6-12(14)11-9(16)4-8(15)5-10(11)17-13(6)18(3)7(2)19/h4-5H,1-3H3
InChIKeyUSFGFNIUXGGQJK-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.46
Rot. Bonds1

About N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide

N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide (PubChem CID 91448137) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide
PubChem CID91448137
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC NameN-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc2cc(F)cc(F)c2c(Cl)c1C
InChIInChI=1S/C13H11ClF2N2O/c1-6-12(14)11-9(16)4-8(15)5-10(11)17-13(6)18(3)7(2)19/h4-5H,1-3H3
InChIKeyUSFGFNIUXGGQJK-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid
CID 67284689
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
4-chloro-5,7-difluoro-2,3-dimethylquinoline;5,7-difluoro-2,3-dimethyl-1H-quinolin-4-one
CID 158931541
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
CID 59631203
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
CID 59631552
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
CID 59631317
2-benzyl-4-chloro-5,7-difluoro-3-methylquinoline
CID 59631490
4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
CID 91215685
2-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1,2-thiazolidine
CID 123538480
4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
4-chloro-5,7-difluoro-3-methyl-2-naphthalen-1-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 157333127
4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158795035

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide (CID 91448137) is N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide is CC(=O)N(C)c1nc2cc(F)cc(F)c2c(Cl)c1C.
What is the InChIKey of N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide?
The InChIKey is USFGFNIUXGGQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-6-12(14)11-9(16)4-8(15)5-10(11)17-13(6)18(3)7(2)19/h4-5H,1-3H3.
What are the key properties of N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide?
N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide has a molecular weight of 284.69 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-methylacetamide is sourced from PubChem (CID 91448137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).