N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C29H28N4O — CID 6024659

IUPACN-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C29H28N4O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)32-33-29(34)26-19-28(24-15-17-30-18-16-24)31-27-10-6-5-9-25(26)27/h5-6,9-19,22H,2-4,7-8H2,1H3,(H,33,34)/b32-20-
InChIKeyPQRISSAAVFTDOS-RGXNXFOYSA-N
MW448.57 g/mol
LogP6.50
Rot. Bonds5

About N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 6024659) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID6024659
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC NameN-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C29H28N4O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)32-33-29(34)26-19-28(24-15-17-30-18-16-24)31-27-10-6-5-9-25(26)27/h5-6,9-19,22H,2-4,7-8H2,1H3,(H,33,34)/b32-20-
InChIKeyPQRISSAAVFTDOS-RGXNXFOYSA-N
XLogP6.50
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.50
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-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
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
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 6024659) is N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is PQRISSAAVFTDOS-RGXNXFOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)32-33-29(34)26-19-28(24-15-17-30-18-16-24)31-27-10-6-5-9-25(26)27/h5-6,9-19,22H,2-4,7-8H2,1H3,(H,33,34)/b32-20-.
What are the key properties of N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 6024659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).