N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide

C27H27N3O5 — CID 22732263

IUPACN-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Nc3ccnc4cc(OC)c(OC)cc34)ccc2C)cc1OC
InChIInChI=1S/C27H27N3O5/c1-16-6-8-18(13-21(16)30-27(31)17-7-9-23(32-2)24(12-17)33-3)29-20-10-11-28-22-15-26(35-5)25(34-4)14-19(20)22/h6-15H,1-5H3,(H,28,29)(H,30,31)
InChIKeyOSLUDTJFTJMAGI-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.57
Rot. Bonds8

About N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide

N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide (PubChem CID 22732263) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
PubChem CID22732263
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Nc3ccnc4cc(OC)c(OC)cc34)ccc2C)cc1OC
InChIInChI=1S/C27H27N3O5/c1-16-6-8-18(13-21(16)30-27(31)17-7-9-23(32-2)24(12-17)33-3)29-20-10-11-28-22-15-26(35-5)25(34-4)14-19(20)22/h6-15H,1-5H3,(H,28,29)(H,30,31)
InChIKeyOSLUDTJFTJMAGI-UHFFFAOYSA-N
XLogP5.57
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide (CID 22732263) is N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(Nc3ccnc4cc(OC)c(OC)cc34)ccc2C)cc1OC.
What is the InChIKey of N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is OSLUDTJFTJMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-16-6-8-18(13-21(16)30-27(31)17-7-9-23(32-2)24(12-17)33-3)29-20-10-11-28-22-15-26(35-5)25(34-4)14-19(20)22/h6-15H,1-5H3,(H,28,29)(H,30,31).
What are the key properties of N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 473.53 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 22732263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).