5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide

C18H15ClN2O2 — CID 110922888

IUPAC5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H15ClN2O2/c19-16-8-7-15(17-14(16)2-1-10-20-17)18(23)21-13-5-3-12(4-6-13)9-11-22/h1-8,10,22H,9,11H2,(H,21,23)
InChIKeyOOZMLTDZSYEXRU-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.68
Rot. Bonds4

About 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide

5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide (PubChem CID 110922888) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
PubChem CID110922888
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C18H15ClN2O2/c19-16-8-7-15(17-14(16)2-1-10-20-17)18(23)21-13-5-3-12(4-6-13)9-11-22/h1-8,10,22H,9,11H2,(H,21,23)
InChIKeyOOZMLTDZSYEXRU-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 110910882
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
CID 154747549
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide (CID 110922888) is 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1ccc(CCO)cc1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is OOZMLTDZSYEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-16-8-7-15(17-14(16)2-1-10-20-17)18(23)21-13-5-3-12(4-6-13)9-11-22/h1-8,10,22H,9,11H2,(H,21,23).
What are the key properties of 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide?
5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 110922888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).