N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

C30H21Cl2N3O2 — CID 6008188

IUPACN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H21Cl2N3O2/c31-23-13-12-22(27(32)16-23)19-37-24-14-10-20(11-15-24)18-33-35-30(36)26-17-29(21-6-2-1-3-7-21)34-28-9-5-4-8-25(26)28/h1-18H,19H2,(H,35,36)/b33-18-
InChIKeyHDUZUBSFFJVPCK-OHUYPAJKSA-N
MW526.42 g/mol
LogP7.55
Rot. Bonds7

About N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 6008188) has the molecular formula C30H21Cl2N3O2 and a molecular weight of 526.42 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID6008188
Molecular FormulaC30H21Cl2N3O2
Molecular Weight526.42 g/mol
Exact Mass525.10
IUPAC NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H21Cl2N3O2/c31-23-13-12-22(27(32)16-23)19-37-24-14-10-20(11-15-24)18-33-35-30(36)26-17-29(21-6-2-1-3-7-21)34-28-9-5-4-8-25(26)28/h1-18H,19H2,(H,35,36)/b33-18-
InChIKeyHDUZUBSFFJVPCK-OHUYPAJKSA-N
XLogP7.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040566
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048224
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049865
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126056987
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053329
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 6008188) is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is HDUZUBSFFJVPCK-OHUYPAJKSA-N. The full InChI is InChI=1S/C30H21Cl2N3O2/c31-23-13-12-22(27(32)16-23)19-37-24-14-10-20(11-15-24)18-33-35-30(36)26-17-29(21-6-2-1-3-7-21)34-28-9-5-4-8-25(26)28/h1-18H,19H2,(H,35,36)/b33-18-.
What are the key properties of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 526.42 g/mol, XLogP of 7.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6008188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).