formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide

C23H20N4O4 — CID 171338597

IUPACformic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Oc4ncccn4)cc3)cc(C)c2c1.O=CO
InChIInChI=1S/C22H18N4O2.CH2O2/c1-14-12-21(26-20-9-6-17(13-19(14)20)25-15(2)27)16-4-7-18(8-5-16)28-22-23-10-3-11-24-22;2-1-3/h3-13H,1-2H3,(H,25,27);1H,(H,2,3)
InChIKeyZNUVPKVYAAFOSV-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.45
Rot. Bonds4

About formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide

formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide (PubChem CID 171338597) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Nameformic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide
PubChem CID171338597
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Nameformic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Oc4ncccn4)cc3)cc(C)c2c1.O=CO
InChIInChI=1S/C22H18N4O2.CH2O2/c1-14-12-21(26-20-9-6-17(13-19(14)20)25-15(2)27)16-4-7-18(8-5-16)28-22-23-10-3-11-24-22;2-1-3/h3-13H,1-2H3,(H,25,27);1H,(H,2,3)
InChIKeyZNUVPKVYAAFOSV-UHFFFAOYSA-N
XLogP4.45
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
N-[2-[4-(dimethylamino)phenyl]-4-methylquinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11155856
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
CID 169414234
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide?
The IUPAC name of formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide (CID 171338597) is formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide.
What is the SMILES notation for formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide?
The canonical SMILES for formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(Oc4ncccn4)cc3)cc(C)c2c1.O=CO.
What is the InChIKey of formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide?
The InChIKey is ZNUVPKVYAAFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2.CH2O2/c1-14-12-21(26-20-9-6-17(13-19(14)20)25-15(2)27)16-4-7-18(8-5-16)28-22-23-10-3-11-24-22;2-1-3/h3-13H,1-2H3,(H,25,27);1H,(H,2,3).
What are the key properties of formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide?
formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide has a molecular weight of 416.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide is sourced from PubChem (CID 171338597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).