2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide

C40H38N4O2 — CID 4535019

IUPAC2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCCCCCCNC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)c3ccccc3n2)c1
InChIInChI=1S/C40H38N4O2/c1-27-13-11-15-29(23-27)37-25-33(31-17-5-7-19-35(31)43-37)39(45)41-21-9-3-4-10-22-42-40(46)34-26-38(30-16-12-14-28(2)24-30)44-36-20-8-6-18-32(34)36/h5-8,11-20,23-26H,3-4,9-10,21-22H2,1-2H3,(H,41,45)(H,42,46)
InChIKeyZNFMDTJZAQSZSQ-UHFFFAOYSA-N
MW606.77 g/mol
LogP8.45
Rot. Bonds11

About 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide

2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide (PubChem CID 4535019) has the molecular formula C40H38N4O2 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
PubChem CID4535019
Molecular FormulaC40H38N4O2
Molecular Weight606.77 g/mol
Exact Mass606.30
IUPAC Name2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCCCCCCNC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)c3ccccc3n2)c1
InChIInChI=1S/C40H38N4O2/c1-27-13-11-15-29(23-27)37-25-33(31-17-5-7-19-35(31)43-37)39(45)41-21-9-3-4-10-22-42-40(46)34-26-38(30-16-12-14-28(2)24-30)44-36-20-8-6-18-32(34)36/h5-8,11-20,23-26H,3-4,9-10,21-22H2,1-2H3,(H,41,45)(H,42,46)
InChIKeyZNFMDTJZAQSZSQ-UHFFFAOYSA-N
XLogP8.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
XR 5944
CID 439035
SB 222200
CID 6604009
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
SB 414240
CID 9806459
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CID 44570859
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide (CID 4535019) is 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)NCCCCCCNC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide?
The InChIKey is ZNFMDTJZAQSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4O2/c1-27-13-11-15-29(23-27)37-25-33(31-17-5-7-19-35(31)43-37)39(45)41-21-9-3-4-10-22-42-40(46)34-26-38(30-16-12-14-28(2)24-30)44-36-20-8-6-18-32(34)36/h5-8,11-20,23-26H,3-4,9-10,21-22H2,1-2H3,(H,41,45)(H,42,46).
What are the key properties of 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide?
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide has a molecular weight of 606.77 g/mol, XLogP of 8.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide is sourced from PubChem (CID 4535019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).