N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide

C20H14N4O — CID 134009435

IUPACN-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc2cccnc12
InChIInChI=1S/C20H14N4O/c25-20(17-10-4-8-14-9-5-11-21-18(14)17)24-16-12-22-19(23-13-16)15-6-2-1-3-7-15/h1-13H,(H,24,25)
InChIKeyAUJAOGVAIFUONX-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.94
Rot. Bonds3

About N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide

N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide (PubChem CID 134009435) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
PubChem CID134009435
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC NameN-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc2cccnc12
InChIInChI=1S/C20H14N4O/c25-20(17-10-4-8-14-9-5-11-21-18(14)17)24-16-12-22-19(23-13-16)15-6-2-1-3-7-15/h1-13H,(H,24,25)
InChIKeyAUJAOGVAIFUONX-UHFFFAOYSA-N
XLogP3.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
palladium;quinoline-8-carboxylic acid
CID 174945118
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide?
The IUPAC name of N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide (CID 134009435) is N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc2cccnc12.
What is the InChIKey of N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide?
The InChIKey is AUJAOGVAIFUONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20(17-10-4-8-14-9-5-11-21-18(14)17)24-16-12-22-19(23-13-16)15-6-2-1-3-7-15/h1-13H,(H,24,25).
What are the key properties of N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide?
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide is sourced from PubChem (CID 134009435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).