N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide

C22H16ClN5O2 — CID 136781512

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-18-7-3-1-5-15(18)13-24-28-20(29)14-9-11-16(12-10-14)25-22-26-19-8-4-2-6-17(19)21(30)27-22/h1-13H,(H,28,29)(H2,25,26,27,30)/b24-13-
InChIKeyFCWBULOBNKXPHA-CFRMEGHHSA-N
MW417.86 g/mol
LogP4.08
Rot. Bonds5

About N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide (PubChem CID 136781512) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
PubChem CID136781512
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-18-7-3-1-5-15(18)13-24-28-20(29)14-9-11-16(12-10-14)25-22-26-19-8-4-2-6-17(19)21(30)27-22/h1-13H,(H,28,29)(H2,25,26,27,30)/b24-13-
InChIKeyFCWBULOBNKXPHA-CFRMEGHHSA-N
XLogP4.08
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781494
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781488
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781481
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781507
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781471
N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135538489
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2-chlorophenyl)methylideneamino]-6-nitro-4-oxo-3H-quinazoline-2-carboxamide
CID 135788542
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide (CID 136781512) is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide is O=C(N/N=C\c1ccccc1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The InChIKey is FCWBULOBNKXPHA-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-18-7-3-1-5-15(18)13-24-28-20(29)14-9-11-16(12-10-14)25-22-26-19-8-4-2-6-17(19)21(30)27-22/h1-13H,(H,28,29)(H2,25,26,27,30)/b24-13-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide has a molecular weight of 417.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 136781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).