2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide

C30H23N3O — CID 3752966

IUPAC2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H23N3O/c1-21(22-16-18-24(19-17-22)23-10-4-2-5-11-23)32-33-30(34)27-20-29(25-12-6-3-7-13-25)31-28-15-9-8-14-26(27)28/h2-20H,1H3,(H,33,34)
InChIKeyPNUWKVQLNRAVAZ-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.72
Rot. Bonds5

About 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide

2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 3752966) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
PubChem CID3752966
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H23N3O/c1-21(22-16-18-24(19-17-22)23-10-4-2-5-11-23)32-33-30(34)27-20-29(25-12-6-3-7-13-25)31-28-15-9-8-14-26(27)28/h2-20H,1H3,(H,33,34)
InChIKeyPNUWKVQLNRAVAZ-UHFFFAOYSA-N
XLogP6.72
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
2-(4-bromophenyl)-N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]quinoline-4-carboxamide
CID 41254108
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide (CID 3752966) is 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is PNUWKVQLNRAVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c1-21(22-16-18-24(19-17-22)23-10-4-2-5-11-23)32-33-30(34)27-20-29(25-12-6-3-7-13-25)31-28-15-9-8-14-26(27)28/h2-20H,1H3,(H,33,34).
What are the key properties of 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 3752966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).