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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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).