8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride

C22H16ClN3O5 — CID 18372593

IUPAC8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H15N3O5.ClH/c26-21-19(12-3-14-2-1-13-23-20(14)21)22(27)24-15-4-8-17(9-5-15)30-18-10-6-16(7-11-18)25(28)29;/h1-13,26H,(H,24,27);1H
InChIKeyFTYPAJYFKXEQHS-UHFFFAOYSA-N
MW437.84 g/mol
LogP5.32
Rot. Bonds5

About 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride

8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride (PubChem CID 18372593) has the molecular formula C22H16ClN3O5 and a molecular weight of 437.84 g/mol. Its IUPAC name is 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
PubChem CID18372593
Molecular FormulaC22H16ClN3O5
Molecular Weight437.84 g/mol
Exact Mass437.08
IUPAC Name8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H15N3O5.ClH/c26-21-19(12-3-14-2-1-13-23-20(14)21)22(27)24-15-4-8-17(9-5-15)30-18-10-6-16(7-11-18)25(28)29;/h1-13,26H,(H,24,27);1H
InChIKeyFTYPAJYFKXEQHS-UHFFFAOYSA-N
XLogP5.32
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
N-(3,4-difluorophenyl)-8-hydroxyquinoline-7-carboxamide;hydrochloride
CID 18372701
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
N-(9H-fluoren-2-yl)-8-hydroxyquinoline-7-carboxamide;hydrochloride
CID 18372482
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
N-(9,10-dihydroanthracen-2-yl)-8-hydroxyquinoline-7-carboxamide
CID 20700238
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide
CID 58737219
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride?
The IUPAC name of 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride (CID 18372593) is 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride?
The canonical SMILES for 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride?
The InChIKey is FTYPAJYFKXEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O5.ClH/c26-21-19(12-3-14-2-1-13-23-20(14)21)22(27)24-15-4-8-17(9-5-15)30-18-10-6-16(7-11-18)25(28)29;/h1-13,26H,(H,24,27);1H.
What are the key properties of 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride?
8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride has a molecular weight of 437.84 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride is sourced from PubChem (CID 18372593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).