formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline

C19H20N6O2 — CID 171339678

IUPACformic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
SMILESCc1nc(Cc2ccc3nc(-c4cnn(C)c4)cc(C)c3c2)n[nH]1.O=CO
InChIInChI=1S/C18H18N6.CH2O2/c1-11-6-17(14-9-19-24(3)10-14)21-16-5-4-13(7-15(11)16)8-18-20-12(2)22-23-18;2-1-3/h4-7,9-10H,8H2,1-3H3,(H,20,22,23);1H,(H,2,3)
InChIKeySBNKHPGSXVTAFE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.66
Rot. Bonds3

About formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline

formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline (PubChem CID 171339678) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline.

Molecular Properties

Compound Nameformic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
PubChem CID171339678
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Nameformic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
SMILESCc1nc(Cc2ccc3nc(-c4cnn(C)c4)cc(C)c3c2)n[nH]1.O=CO
InChIInChI=1S/C18H18N6.CH2O2/c1-11-6-17(14-9-19-24(3)10-14)21-16-5-4-13(7-15(11)16)8-18-20-12(2)22-23-18;2-1-3/h4-7,9-10H,8H2,1-3H3,(H,20,22,23);1H,(H,2,3)
InChIKeySBNKHPGSXVTAFE-UHFFFAOYSA-N
XLogP2.66
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.66
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-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
CID 118959944
7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169411487
formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
CID 171708321
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771794
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 133113227
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169416201

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline?
The IUPAC name of formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline (CID 171339678) is formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline.
What is the SMILES notation for formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline?
The canonical SMILES for formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline is Cc1nc(Cc2ccc3nc(-c4cnn(C)c4)cc(C)c3c2)n[nH]1.O=CO.
What is the InChIKey of formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline?
The InChIKey is SBNKHPGSXVTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.CH2O2/c1-11-6-17(14-9-19-24(3)10-14)21-16-5-4-13(7-15(11)16)8-18-20-12(2)22-23-18;2-1-3/h4-7,9-10H,8H2,1-3H3,(H,20,22,23);1H,(H,2,3).
What are the key properties of formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline?
formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline has a molecular weight of 364.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline is sourced from PubChem (CID 171339678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).