4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol

C23H24FN5O2 — CID 170641750

IUPAC4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
SMILESCOc1nc(NC2CCC(C)(O)CC2)nn2cc(F)c(-c3ccc4ncccc4c3)c12
InChIInChI=1S/C23H24FN5O2/c1-23(30)9-7-16(8-10-23)26-22-27-21(31-2)20-19(17(24)13-29(20)28-22)15-5-6-18-14(12-15)4-3-11-25-18/h3-6,11-13,16,30H,7-10H2,1-2H3,(H,26,28)
InChIKeyNQQMOLHCFFYHLA-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.20
Rot. Bonds4

About 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol

4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol (PubChem CID 170641750) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
PubChem CID170641750
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
SMILESCOc1nc(NC2CCC(C)(O)CC2)nn2cc(F)c(-c3ccc4ncccc4c3)c12
InChIInChI=1S/C23H24FN5O2/c1-23(30)9-7-16(8-10-23)26-22-27-21(31-2)20-19(17(24)13-29(20)28-22)15-5-6-18-14(12-15)4-3-11-25-18/h3-6,11-13,16,30H,7-10H2,1-2H3,(H,26,28)
InChIKeyNQQMOLHCFFYHLA-UHFFFAOYSA-N
XLogP4.20
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol (CID 170641750) is 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol is COc1nc(NC2CCC(C)(O)CC2)nn2cc(F)c(-c3ccc4ncccc4c3)c12.
What is the InChIKey of 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol?
The InChIKey is NQQMOLHCFFYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-23(30)9-7-16(8-10-23)26-22-27-21(31-2)20-19(17(24)13-29(20)28-22)15-5-6-18-14(12-15)4-3-11-25-18/h3-6,11-13,16,30H,7-10H2,1-2H3,(H,26,28).
What are the key properties of 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol?
4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol has a molecular weight of 421.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 170641750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).