7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine

C22H18N6O — CID 126651266

IUPAC7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
SMILESCOc1ccc2c(Nc3nc(-c4cccc(C)n4)nn4cccc34)ccnc2c1
InChIInChI=1S/C22H18N6O/c1-14-5-3-6-18(24-14)21-26-22(20-7-4-12-28(20)27-21)25-17-10-11-23-19-13-15(29-2)8-9-16(17)19/h3-13H,1-2H3,(H,23,25,26,27)
InChIKeySTPUEPLVTCNYHC-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.40
Rot. Bonds4

About 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine

7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine (PubChem CID 126651266) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
PubChem CID126651266
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
SMILESCOc1ccc2c(Nc3nc(-c4cccc(C)n4)nn4cccc34)ccnc2c1
InChIInChI=1S/C22H18N6O/c1-14-5-3-6-18(24-14)21-26-22(20-7-4-12-28(20)27-21)25-17-10-11-23-19-13-15(29-2)8-9-16(17)19/h3-13H,1-2H3,(H,23,25,26,27)
InChIKeySTPUEPLVTCNYHC-UHFFFAOYSA-N
XLogP4.40
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The IUPAC name of 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine (CID 126651266) is 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The canonical SMILES for 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine is COc1ccc2c(Nc3nc(-c4cccc(C)n4)nn4cccc34)ccnc2c1.
What is the InChIKey of 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The InChIKey is STPUEPLVTCNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-5-3-6-18(24-14)21-26-22(20-7-4-12-28(20)27-21)25-17-10-11-23-19-13-15(29-2)8-9-16(17)19/h3-13H,1-2H3,(H,23,25,26,27).
What are the key properties of 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine has a molecular weight of 382.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine is sourced from PubChem (CID 126651266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).