2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide

C41H33N5O2 — CID 175917421

IUPAC2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(N(c2cccc(C)c2C(=O)Nc2cccc3cccnc23)c2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C41H33N5O2/c1-26-20-22-31(23-21-26)46(34-18-4-10-27(2)36(34)40(47)44-32-16-6-12-29-14-8-24-42-38(29)32)35-19-5-11-28(3)37(35)41(48)45-33-17-7-13-30-15-9-25-43-39(30)33/h4-25H,1-3H3,(H,44,47)(H,45,48)
InChIKeyMKULROMXFWHSQB-UHFFFAOYSA-N
MW627.75 g/mol
LogP9.68
Rot. Bonds7

About 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide

2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide (PubChem CID 175917421) has the molecular formula C41H33N5O2 and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
PubChem CID175917421
Molecular FormulaC41H33N5O2
Molecular Weight627.75 g/mol
Exact Mass627.26
IUPAC Name2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(N(c2cccc(C)c2C(=O)Nc2cccc3cccnc23)c2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C41H33N5O2/c1-26-20-22-31(23-21-26)46(34-18-4-10-27(2)36(34)40(47)44-32-16-6-12-29-14-8-24-42-38(29)32)35-19-5-11-28(3)37(35)41(48)45-33-17-7-13-30-15-9-25-43-39(30)33/h4-25H,1-3H3,(H,44,47)(H,45,48)
InChIKeyMKULROMXFWHSQB-UHFFFAOYSA-N
XLogP9.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 59.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide with MolForge

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Related Compounds

2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
CID 110699363
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
CID 122220942
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
CID 177421330
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide (CID 175917421) is 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide is Cc1ccc(N(c2cccc(C)c2C(=O)Nc2cccc3cccnc23)c2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide?
The InChIKey is MKULROMXFWHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N5O2/c1-26-20-22-31(23-21-26)46(34-18-4-10-27(2)36(34)40(47)44-32-16-6-12-29-14-8-24-42-38(29)32)35-19-5-11-28(3)37(35)41(48)45-33-17-7-13-30-15-9-25-43-39(30)33/h4-25H,1-3H3,(H,44,47)(H,45,48).
What are the key properties of 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide?
2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide has a molecular weight of 627.75 g/mol, XLogP of 9.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 175917421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).