N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

C30H31N3O2 — CID 6166144

IUPACN-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(OC(C)C)cc1
InChIInChI=1S/C30H31N3O2/c1-19(2)22-10-12-24(13-11-22)29-18-27(26-8-6-7-9-28(26)31-29)30(34)33-32-21(5)23-14-16-25(17-15-23)35-20(3)4/h6-20H,1-5H3,(H,33,34)/b32-21-
InChIKeyYZRHLXOHBDPBKS-QXPFVDMISA-N
MW465.60 g/mol
LogP6.97
Rot. Bonds7

About N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 6166144) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID6166144
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(OC(C)C)cc1
InChIInChI=1S/C30H31N3O2/c1-19(2)22-10-12-24(13-11-22)29-18-27(26-8-6-7-9-28(26)31-29)30(34)33-32-21(5)23-14-16-25(17-15-23)35-20(3)4/h6-20H,1-5H3,(H,33,34)/b32-21-
InChIKeyYZRHLXOHBDPBKS-QXPFVDMISA-N
XLogP6.97
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.97
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'}

Analyze N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 5146403
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
8-chloro-2-(4-ethylphenyl)-N-[(E)-1-(4-propan-2-yloxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 17338089
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 135907320

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide (CID 6166144) is N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is YZRHLXOHBDPBKS-QXPFVDMISA-N. The full InChI is InChI=1S/C30H31N3O2/c1-19(2)22-10-12-24(13-11-22)29-18-27(26-8-6-7-9-28(26)31-29)30(34)33-32-21(5)23-14-16-25(17-15-23)35-20(3)4/h6-20H,1-5H3,(H,33,34)/b32-21-.
What are the key properties of N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6166144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).