2-(8-chloro-2-methylquinolin-4-yl)acetamide

C12H11ClN2O — CID 82575392

IUPAC2-(8-chloro-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cccc(Cl)c2n1
InChIInChI=1S/C12H11ClN2O/c1-7-5-8(6-11(14)16)9-3-2-4-10(13)12(9)15-7/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyABOYZIPDNDNIHW-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.22
Rot. Bonds2

About 2-(8-chloro-2-methylquinolin-4-yl)acetamide

2-(8-chloro-2-methylquinolin-4-yl)acetamide (PubChem CID 82575392) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(8-chloro-2-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloro-2-methylquinolin-4-yl)acetamide
PubChem CID82575392
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(8-chloro-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cccc(Cl)c2n1
InChIInChI=1S/C12H11ClN2O/c1-7-5-8(6-11(14)16)9-3-2-4-10(13)12(9)15-7/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyABOYZIPDNDNIHW-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
CID 82575405
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
(E)-3-(8-chloro-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82448940
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylquinolin-4-yl)acetamide?
The IUPAC name of 2-(8-chloro-2-methylquinolin-4-yl)acetamide (CID 82575392) is 2-(8-chloro-2-methylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(8-chloro-2-methylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(8-chloro-2-methylquinolin-4-yl)acetamide is Cc1cc(CC(N)=O)c2cccc(Cl)c2n1.
What is the InChIKey of 2-(8-chloro-2-methylquinolin-4-yl)acetamide?
The InChIKey is ABOYZIPDNDNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-7-5-8(6-11(14)16)9-3-2-4-10(13)12(9)15-7/h2-5H,6H2,1H3,(H2,14,16).
What are the key properties of 2-(8-chloro-2-methylquinolin-4-yl)acetamide?
2-(8-chloro-2-methylquinolin-4-yl)acetamide has a molecular weight of 234.69 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 82575392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).