N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide

C20H14N4O — CID 56946178

IUPACN-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccncn2)nc2ccccc12
InChIInChI=1S/C20H14N4O/c25-20(23-14-6-2-1-3-7-14)16-12-19(18-10-11-21-13-22-18)24-17-9-5-4-8-15(16)17/h1-13H,(H,23,25)
InChIKeyPFJUUPRRMRPDHQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.94
Rot. Bonds3

About N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide

N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide (PubChem CID 56946178) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
PubChem CID56946178
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC NameN-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccncn2)nc2ccccc12
InChIInChI=1S/C20H14N4O/c25-20(23-14-6-2-1-3-7-14)16-12-19(18-10-11-21-13-22-18)24-17-9-5-4-8-15(16)17/h1-13H,(H,23,25)
InChIKeyPFJUUPRRMRPDHQ-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

N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-[6-[4-(pyridine-4-carbonylamino)phenyl]pyrimidin-4-yl]quinoline-4-carboxamide
CID 142723920
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide (CID 56946178) is N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccncn2)nc2ccccc12.
What is the InChIKey of N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide?
The InChIKey is PFJUUPRRMRPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20(23-14-6-2-1-3-7-14)16-12-19(18-10-11-21-13-22-18)24-17-9-5-4-8-15(16)17/h1-13H,(H,23,25).
What are the key properties of N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide?
N-phenyl-2-pyrimidin-4-ylquinoline-4-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-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 56946178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).