N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

C34H25N3O2 — CID 126049455

IUPACN-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C34H25N3O2/c38-34(31-21-33(27-9-2-1-3-10-27)36-32-13-7-6-12-30(31)32)37-35-22-24-15-18-29(19-16-24)39-23-25-14-17-26-8-4-5-11-28(26)20-25/h1-22H,23H2,(H,37,38)/b35-22+
InChIKeyZAIWIRXNJNRWAN-FADJLKOXSA-N
MW507.59 g/mol
LogP7.40
Rot. Bonds7

About N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126049455) has the molecular formula C34H25N3O2 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126049455
Molecular FormulaC34H25N3O2
Molecular Weight507.59 g/mol
Exact Mass507.19
IUPAC NameN-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C34H25N3O2/c38-34(31-21-33(27-9-2-1-3-10-27)36-32-13-7-6-12-30(31)32)37-35-22-24-15-18-29(19-16-24)39-23-25-14-17-26-8-4-5-11-28(26)20-25/h1-22H,23H2,(H,37,38)/b35-22+
InChIKeyZAIWIRXNJNRWAN-FADJLKOXSA-N
XLogP7.40
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 57.40
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

2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053329
N-[(E)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036355
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-[3-bromo-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046618
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
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126049455) is N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ZAIWIRXNJNRWAN-FADJLKOXSA-N. The full InChI is InChI=1S/C34H25N3O2/c38-34(31-21-33(27-9-2-1-3-10-27)36-32-13-7-6-12-30(31)32)37-35-22-24-15-18-29(19-16-24)39-23-25-14-17-26-8-4-5-11-28(26)20-25/h1-22H,23H2,(H,37,38)/b35-22+.
What are the key properties of N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 7.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126049455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).