N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide

C27H26N2O4 — CID 997833

IUPACN-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-17(2)33-25-12-8-6-10-20(25)24-16-21(19-9-5-7-11-22(19)28-24)27(30)29-23-14-13-18(31-3)15-26(23)32-4/h5-17H,1-4H3,(H,29,30)
InChIKeyPZKBFKJFIXVIRS-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.96
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 997833) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID997833
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-17(2)33-25-12-8-6-10-20(25)24-16-21(19-9-5-7-11-22(19)28-24)27(30)29-23-14-13-18(31-3)15-26(23)32-4/h5-17H,1-4H3,(H,29,30)
InChIKeyPZKBFKJFIXVIRS-UHFFFAOYSA-N
XLogP5.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
N-(2-carbamoylphenyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1225718
N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 1003099

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 997833) is N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is PZKBFKJFIXVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17(2)33-25-12-8-6-10-20(25)24-16-21(19-9-5-7-11-22(19)28-24)27(30)29-23-14-13-18(31-3)15-26(23)32-4/h5-17H,1-4H3,(H,29,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 997833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).