N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

C40H30N4O — CID 126037298

IUPACN-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C40H30N4O/c1-28-21-23-33(24-22-28)44-38(30-15-7-3-8-16-30)25-32(39(44)31-17-9-4-10-18-31)27-41-43-40(45)35-26-37(29-13-5-2-6-14-29)42-36-20-12-11-19-34(35)36/h2-27H,1H3,(H,43,45)/b41-27-
InChIKeyIGWWBTKVZJBREG-CBALNBDPSA-N
MW582.71 g/mol
LogP9.10
Rot. Bonds7

About N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126037298) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126037298
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC NameN-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C40H30N4O/c1-28-21-23-33(24-22-28)44-38(30-15-7-3-8-16-30)25-32(39(44)31-17-9-4-10-18-31)27-41-43-40(45)35-26-37(29-13-5-2-6-14-29)42-36-20-12-11-19-34(35)36/h2-27H,1H3,(H,43,45)/b41-27-
InChIKeyIGWWBTKVZJBREG-CBALNBDPSA-N
XLogP9.10
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 59.10
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-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide with MolForge

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Related Compounds

3-hydroxy-4-iodo-N-[[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide
CID 4195893
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 7933727
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
methyl 3-[2,5-dimethyl-3-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 126045780
N-[(E)-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126050255
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504163
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126037298) is N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is IGWWBTKVZJBREG-CBALNBDPSA-N. The full InChI is InChI=1S/C40H30N4O/c1-28-21-23-33(24-22-28)44-38(30-15-7-3-8-16-30)25-32(39(44)31-17-9-4-10-18-31)27-41-43-40(45)35-26-37(29-13-5-2-6-14-29)42-36-20-12-11-19-34(35)36/h2-27H,1H3,(H,43,45)/b41-27-.
What are the key properties of N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 582.71 g/mol, XLogP of 9.10, 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-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126037298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).