8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide

C14H15ClN2O2 — CID 110489307

IUPAC8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCO)c2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O2/c1-9-8-11(14(19)17(2)6-7-18)10-4-3-5-12(15)13(10)16-9/h3-5,8,18H,6-7H2,1-2H3
InChIKeyUYCXNCJMEBDVTK-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.26
Rot. Bonds3

About 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide

8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide (PubChem CID 110489307) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
PubChem CID110489307
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCO)c2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O2/c1-9-8-11(14(19)17(2)6-7-18)10-4-3-5-12(15)13(10)16-9/h3-5,8,18H,6-7H2,1-2H3
InChIKeyUYCXNCJMEBDVTK-UHFFFAOYSA-N
XLogP2.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
CID 53016644
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 77080512
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
(E)-3-(8-chloro-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82448940
N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 46994897

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide (CID 110489307) is 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)CCO)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is UYCXNCJMEBDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-8-11(14(19)17(2)6-7-18)10-4-3-5-12(15)13(10)16-9/h3-5,8,18H,6-7H2,1-2H3.
What are the key properties of 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide?
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 110489307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).