N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide

C23H17N5O — CID 167780331

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c2cccnc12
InChIInChI=1S/C23H17N5O/c1-15-8-9-19(18-7-3-10-24-21(15)18)22(29)26-17-6-2-5-16(13-17)20-14-28-12-4-11-25-23(28)27-20/h2-14H,1H3,(H,26,29)
InChIKeyORPXEJBENBXCCQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.51
Rot. Bonds3

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide (PubChem CID 167780331) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide
PubChem CID167780331
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c2cccnc12
InChIInChI=1S/C23H17N5O/c1-15-8-9-19(18-7-3-10-24-21(15)18)22(29)26-17-6-2-5-16(13-17)20-14-28-12-4-11-25-23(28)27-20/h2-14H,1H3,(H,26,29)
InChIKeyORPXEJBENBXCCQ-UHFFFAOYSA-N
XLogP4.51
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285165
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122285119
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
CID 122285068
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)quinoline-2-carboxamide
CID 122285084
2-cyclopropyl-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285150
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide (CID 167780331) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c2cccnc12.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide?
The InChIKey is ORPXEJBENBXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-15-8-9-19(18-7-3-10-24-21(15)18)22(29)26-17-6-2-5-16(13-17)20-14-28-12-4-11-25-23(28)27-20/h2-14H,1H3,(H,26,29).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide is sourced from PubChem (CID 167780331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).