2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide

C30H23N3O2 — CID 6879530

IUPAC2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H23N3O2/c34-30(27-19-29(24-11-5-2-6-12-24)32-28-14-8-7-13-26(27)28)33-31-20-22-15-17-25(18-16-22)35-21-23-9-3-1-4-10-23/h1-20H,21H2,(H,33,34)/b31-20+
InChIKeyPLQRYKBYYZRJNR-AJBULDERSA-N
MW457.53 g/mol
LogP6.24
Rot. Bonds7

About 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6879530) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6879530
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H23N3O2/c34-30(27-19-29(24-11-5-2-6-12-24)32-28-14-8-7-13-26(27)28)33-31-20-22-15-17-25(18-16-22)35-21-23-9-3-1-4-10-23/h1-20H,21H2,(H,33,34)/b31-20+
InChIKeyPLQRYKBYYZRJNR-AJBULDERSA-N
XLogP6.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.24
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)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053329
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6008188
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047111

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 6879530) is 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is PLQRYKBYYZRJNR-AJBULDERSA-N. The full InChI is InChI=1S/C30H23N3O2/c34-30(27-19-29(24-11-5-2-6-12-24)32-28-14-8-7-13-26(27)28)33-31-20-22-15-17-25(18-16-22)35-21-23-9-3-1-4-10-23/h1-20H,21H2,(H,33,34)/b31-20+.
What are the key properties of 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6879530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).