N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide

C23H25N3O3 — CID 17488486

IUPACN-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1
InChIInChI=1S/C23H25N3O3/c1-5-26(6-2)23(28)16-7-10-18(11-8-16)25-22(27)20-13-17-9-12-19(29-4)14-21(17)24-15(20)3/h7-14H,5-6H2,1-4H3,(H,25,27)
InChIKeyZRAQMUJUPHOUPZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.29
Rot. Bonds6

About N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 17488486) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID17488486
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1
InChIInChI=1S/C23H25N3O3/c1-5-26(6-2)23(28)16-7-10-18(11-8-16)25-22(27)20-13-17-9-12-19(29-4)14-21(17)24-15(20)3/h7-14H,5-6H2,1-4H3,(H,25,27)
InChIKeyZRAQMUJUPHOUPZ-UHFFFAOYSA-N
XLogP4.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 17488486) is N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is ZRAQMUJUPHOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-26(6-2)23(28)16-7-10-18(11-8-16)25-22(27)20-13-17-9-12-19(29-4)14-21(17)24-15(20)3/h7-14H,5-6H2,1-4H3,(H,25,27).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 17488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).