N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine

C20H20N4O — CID 154870057

IUPACN-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESc1cnc2c(c1)C(NCc1ccc(Oc3cnccn3)cc1)CCC2
InChIInChI=1S/C20H20N4O/c1-4-18-17(3-2-10-22-18)19(5-1)24-13-15-6-8-16(9-7-15)25-20-14-21-11-12-23-20/h2-3,6-12,14,19,24H,1,4-5,13H2
InChIKeyCYHNLECFVXMMJM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine

N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 154870057) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID154870057
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine
SMILESc1cnc2c(c1)C(NCc1ccc(Oc3cnccn3)cc1)CCC2
InChIInChI=1S/C20H20N4O/c1-4-18-17(3-2-10-22-18)19(5-1)24-13-15-6-8-16(9-7-15)25-20-14-21-11-12-23-20/h2-3,6-12,14,19,24H,1,4-5,13H2
InChIKeyCYHNLECFVXMMJM-UHFFFAOYSA-N
XLogP3.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine (CID 154870057) is N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine is c1cnc2c(c1)C(NCc1ccc(Oc3cnccn3)cc1)CCC2.
What is the InChIKey of N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is CYHNLECFVXMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-4-18-17(3-2-10-22-18)19(5-1)24-13-15-6-8-16(9-7-15)25-20-14-21-11-12-23-20/h2-3,6-12,14,19,24H,1,4-5,13H2.
What are the key properties of N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine?
N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 332.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazin-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 154870057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).