N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide

C28H22N4O2 — CID 136836269

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
SMILESCc1cc(Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3)cc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C28H22N4O2/c1-18-16-26(25-15-10-20-4-2-3-5-24(20)27(25)30-18)31-22-11-8-21(9-12-22)28(34)32-29-17-19-6-13-23(33)14-7-19/h2-17,33H,1H3,(H,30,31)(H,32,34)/b29-17-
InChIKeyUDQUTGVOBJRTMT-RHANQZHGSA-N
MW446.51 g/mol
LogP5.91
Rot. Bonds5

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide (PubChem CID 136836269) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
PubChem CID136836269
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
SMILESCc1cc(Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3)cc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C28H22N4O2/c1-18-16-26(25-15-10-20-4-2-3-5-24(20)27(25)30-18)31-22-11-8-21(9-12-22)28(34)32-29-17-19-6-13-23(33)14-7-19/h2-17,33H,1H3,(H,30,31)(H,32,34)/b29-17-
InChIKeyUDQUTGVOBJRTMT-RHANQZHGSA-N
XLogP5.91
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide
CID 162676112
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride
CID 52997922
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide (CID 136836269) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide is Cc1cc(Nc2ccc(C(=O)N/N=C\c3ccc(O)cc3)cc2)c2ccc3ccccc3c2n1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide?
The InChIKey is UDQUTGVOBJRTMT-RHANQZHGSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-18-16-26(25-15-10-20-4-2-3-5-24(20)27(25)30-18)31-22-11-8-21(9-12-22)28(34)32-29-17-19-6-13-23(33)14-7-19/h2-17,33H,1H3,(H,30,31)(H,32,34)/b29-17-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide has a molecular weight of 446.51 g/mol, XLogP of 5.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide is sourced from PubChem (CID 136836269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).