N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide

C18H15ClN2O2 — CID 18372521

IUPACN-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22/h1-8,10,22H,9,11H2,(H,21,23)
InChIKeyYMLLUHMVPHPECU-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide

N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 18372521) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
PubChem CID18372521
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15ClN2O2/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22/h1-8,10,22H,9,11H2,(H,21,23)
InChIKeyYMLLUHMVPHPECU-UHFFFAOYSA-N
XLogP3.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
CID 18345011
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide (CID 18372521) is N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is YMLLUHMVPHPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22/h1-8,10,22H,9,11H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 18372521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).