N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

C38H27N3O2 — CID 126045670

IUPACN-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C38H27N3O2/c42-38(33-23-36(28-13-2-1-3-14-28)40-35-20-9-8-19-32(33)35)41-39-24-34-31-18-7-5-12-27(31)21-22-37(34)43-25-29-16-10-15-26-11-4-6-17-30(26)29/h1-24H,25H2,(H,41,42)/b39-24-
InChIKeyQZBKGBAMURZMBH-SGFZWYBVSA-N
MW557.65 g/mol
LogP8.55
Rot. Bonds7

About N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126045670) has the molecular formula C38H27N3O2 and a molecular weight of 557.65 g/mol. Its IUPAC name is N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126045670
Molecular FormulaC38H27N3O2
Molecular Weight557.65 g/mol
Exact Mass557.21
IUPAC NameN-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C38H27N3O2/c42-38(33-23-36(28-13-2-1-3-14-28)40-35-20-9-8-19-32(33)35)41-39-24-34-31-18-7-5-12-27(31)21-22-37(34)43-25-29-16-10-15-26-11-4-6-17-30(26)29/h1-24H,25H2,(H,41,42)/b39-24-
InChIKeyQZBKGBAMURZMBH-SGFZWYBVSA-N
XLogP8.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 58.55
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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Launch Full Analysis

Related Compounds

ethyl 4-[[1-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzoate
CID 126046638
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N-[(Z)-[5-bromo-3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054295
N-[(Z)-[3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036718
N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126051206
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(E)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036355
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126052411
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040566
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126055611

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126045670) is N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is QZBKGBAMURZMBH-SGFZWYBVSA-N. The full InChI is InChI=1S/C38H27N3O2/c42-38(33-23-36(28-13-2-1-3-14-28)40-35-20-9-8-19-32(33)35)41-39-24-34-31-18-7-5-12-27(31)21-22-37(34)43-25-29-16-10-15-26-11-4-6-17-30(26)29/h1-24H,25H2,(H,41,42)/b39-24-.
What are the key properties of N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 8.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126045670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).