N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide

C46H34N4O2 — CID 5114038

IUPACN-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(-c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)c2)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C46H34N4O2/c1-29-25-33(21-23-39(29)49-45(51)37-27-43(31-13-5-3-6-14-31)47-41-19-11-9-17-35(37)41)34-22-24-40(30(2)26-34)50-46(52)38-28-44(32-15-7-4-8-16-32)48-42-20-12-10-18-36(38)42/h3-28H,1-2H3,(H,49,51)(H,50,52)
InChIKeySAVUGISHZGPISX-UHFFFAOYSA-N
MW674.80 g/mol
LogP10.91
Rot. Bonds7

About N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide

N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 5114038) has the molecular formula C46H34N4O2 and a molecular weight of 674.80 g/mol. Its IUPAC name is N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID5114038
Molecular FormulaC46H34N4O2
Molecular Weight674.80 g/mol
Exact Mass674.27
IUPAC NameN-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(-c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)c2)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C46H34N4O2/c1-29-25-33(21-23-39(29)49-45(51)37-27-43(31-13-5-3-6-14-31)47-41-19-11-9-17-35(37)41)34-22-24-40(30(2)26-34)50-46(52)38-28-44(32-15-7-4-8-16-32)48-42-20-12-10-18-36(38)42/h3-28H,1-2H3,(H,49,51)(H,50,52)
InChIKeySAVUGISHZGPISX-UHFFFAOYSA-N
XLogP10.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

SB 222200
CID 6604009
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
Flavanthrone
CID 68059
SB 414240
CID 9806459
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
N-(1-adamantyl)quinoline-2-carboxamide
CID 2851338
XR-9577
CID 15950351
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10370066

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide (CID 5114038) is N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide is Cc1cc(-c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)c2)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is SAVUGISHZGPISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O2/c1-29-25-33(21-23-39(29)49-45(51)37-27-43(31-13-5-3-6-14-31)47-41-19-11-9-17-35(37)41)34-22-24-40(30(2)26-34)50-46(52)38-28-44(32-15-7-4-8-16-32)48-42-20-12-10-18-36(38)42/h3-28H,1-2H3,(H,49,51)(H,50,52).
What are the key properties of N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide?
N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 674.80 g/mol, XLogP of 10.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-methyl-4-[(2-phenylquinoline-4-carbonyl)amino]phenyl]phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 5114038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).