N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine

C23H23N5O — CID 66712095

IUPACN-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(C)CCC4)nn12
InChIInChI=1S/C23H23N5O/c1-27-13-5-6-16-9-10-17(14-21(16)27)25-23-24-15-18-11-12-20(28(18)26-23)19-7-3-4-8-22(19)29-2/h3-4,7-12,14-15H,5-6,13H2,1-2H3,(H,25,26)
InChIKeyHSCPFUNAIVHXMW-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.53
Rot. Bonds4

About N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine

N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 66712095) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound NameN-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID66712095
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(C)CCC4)nn12
InChIInChI=1S/C23H23N5O/c1-27-13-5-6-16-9-10-17(14-21(16)27)25-23-24-15-18-11-12-20(28(18)26-23)19-7-3-4-8-22(19)29-2/h3-4,7-12,14-15H,5-6,13H2,1-2H3,(H,25,26)
InChIKeyHSCPFUNAIVHXMW-UHFFFAOYSA-N
XLogP4.53
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine (CID 66712095) is N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine is COc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)N(C)CCC4)nn12.
What is the InChIKey of N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is HSCPFUNAIVHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-13-5-6-16-9-10-17(14-21(16)27)25-23-24-15-18-11-12-20(28(18)26-23)19-7-3-4-8-22(19)29-2/h3-4,7-12,14-15H,5-6,13H2,1-2H3,(H,25,26).
What are the key properties of N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine?
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 385.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 66712095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).