N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide

C17H10ClN3O2 — CID 130421674

IUPACN-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
SMILESN#Cc1cc(Cl)ccc1NC(=O)c1ccc2cccnc2c1O
InChIInChI=1S/C17H10ClN3O2/c18-12-4-6-14(11(8-12)9-19)21-17(23)13-5-3-10-2-1-7-20-15(10)16(13)22/h1-8,22H,(H,21,23)
InChIKeyJSIKFVDDEBGNRO-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.72
Rot. Bonds2

About N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide

N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide (PubChem CID 130421674) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
PubChem CID130421674
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC NameN-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
SMILESN#Cc1cc(Cl)ccc1NC(=O)c1ccc2cccnc2c1O
InChIInChI=1S/C17H10ClN3O2/c18-12-4-6-14(11(8-12)9-19)21-17(23)13-5-3-10-2-1-7-20-15(10)16(13)22/h1-8,22H,(H,21,23)
InChIKeyJSIKFVDDEBGNRO-UHFFFAOYSA-N
XLogP3.72
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide (CID 130421674) is N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide is N#Cc1cc(Cl)ccc1NC(=O)c1ccc2cccnc2c1O.
What is the InChIKey of N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The InChIKey is JSIKFVDDEBGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-12-4-6-14(11(8-12)9-19)21-17(23)13-5-3-10-2-1-7-20-15(10)16(13)22/h1-8,22H,(H,21,23).
What are the key properties of N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide has a molecular weight of 323.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-cyanophenyl)-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 130421674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).