N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide

C23H25N3O4 — CID 46439872

IUPACN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccc(C)cc3nc2C)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C23H25N3O4/c1-13-7-8-15-10-16(14(2)24-18(15)9-13)22(27)25-19-12-21(30-6)20(29-5)11-17(19)23(28)26(3)4/h7-12H,1-6H3,(H,25,27)
InChIKeyQNQKTZONFKRSEX-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide

N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 46439872) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID46439872
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccc(C)cc3nc2C)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C23H25N3O4/c1-13-7-8-15-10-16(14(2)24-18(15)9-13)22(27)25-19-12-21(30-6)20(29-5)11-17(19)23(28)26(3)4/h7-12H,1-6H3,(H,25,27)
InChIKeyQNQKTZONFKRSEX-UHFFFAOYSA-N
XLogP3.82
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32509130
4,5-dimethoxy-N,N-dimethyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]benzamide
CID 32516391
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 60547561
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 32516317
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide (CID 46439872) is N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide is COc1cc(NC(=O)c2cc3ccc(C)cc3nc2C)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is QNQKTZONFKRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-13-7-8-15-10-16(14(2)24-18(15)9-13)22(27)25-19-12-21(30-6)20(29-5)11-17(19)23(28)26(3)4/h7-12H,1-6H3,(H,25,27).
What are the key properties of N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide?
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 46439872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).