2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide

C28H22N4O3 — CID 52765868

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccn4)cc3C)c3ccccc3n2)cc1
InChIInChI=1S/C28H22N4O3/c1-18-16-21(35-28-29-14-5-15-30-28)12-13-24(18)32-27(33)23-17-26(19-8-10-20(34-2)11-9-19)31-25-7-4-3-6-22(23)25/h3-17H,1-2H3,(H,32,33)
InChIKeyBVVFJKGIAHPTEZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.05
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 52765868) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID52765868
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccn4)cc3C)c3ccccc3n2)cc1
InChIInChI=1S/C28H22N4O3/c1-18-16-21(35-28-29-14-5-15-30-28)12-13-24(18)32-27(33)23-17-26(19-8-10-20(34-2)11-9-19)31-25-7-4-3-6-22(23)25/h3-17H,1-2H3,(H,32,33)
InChIKeyBVVFJKGIAHPTEZ-UHFFFAOYSA-N
XLogP6.05
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 2930757
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide (CID 52765868) is 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccn4)cc3C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is BVVFJKGIAHPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c1-18-16-21(35-28-29-14-5-15-30-28)12-13-24(18)32-27(33)23-17-26(19-8-10-20(34-2)11-9-19)31-25-7-4-3-6-22(23)25/h3-17H,1-2H3,(H,32,33).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 52765868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).