N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide

C22H16N6O — CID 55841050

IUPACN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H16N6O/c29-22(26-12-16-6-3-10-25-21(16)28-14-23-13-27-28)19-11-15-5-1-2-7-17(15)18-8-4-9-24-20(18)19/h1-11,13-14H,12H2,(H,26,29)
InChIKeyIGEZUARROBYMAK-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.29
Rot. Bonds4

About N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide

N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide (PubChem CID 55841050) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
PubChem CID55841050
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H16N6O/c29-22(26-12-16-6-3-10-25-21(16)28-14-23-13-27-28)19-11-15-5-1-2-7-17(15)18-8-4-9-24-20(18)19/h1-11,13-14H,12H2,(H,26,29)
InChIKeyIGEZUARROBYMAK-UHFFFAOYSA-N
XLogP3.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 55961451
7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
2-(4-bromophenyl)sulfanyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55720549
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 118780799

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide (CID 55841050) is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is IGEZUARROBYMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c29-22(26-12-16-6-3-10-25-21(16)28-14-23-13-27-28)19-11-15-5-1-2-7-17(15)18-8-4-9-24-20(18)19/h1-11,13-14H,12H2,(H,26,29).
What are the key properties of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide?
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 55841050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).