pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol

C19H19N5O — CID 90858289

IUPACpyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol
SMILESOC(NC1CCCc2ccc(-c3ccncc3)nc21)c1cnccn1
InChIInChI=1S/C19H19N5O/c25-19(17-12-21-10-11-22-17)24-16-3-1-2-14-4-5-15(23-18(14)16)13-6-8-20-9-7-13/h4-12,16,19,24-25H,1-3H2
InChIKeyJBHMPMHVJVPLAO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.59
Rot. Bonds4

About pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol

pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol (PubChem CID 90858289) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol.

Molecular Properties

Compound Namepyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol
PubChem CID90858289
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Namepyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol
SMILESOC(NC1CCCc2ccc(-c3ccncc3)nc21)c1cnccn1
InChIInChI=1S/C19H19N5O/c25-19(17-12-21-10-11-22-17)24-16-3-1-2-14-4-5-15(23-18(14)16)13-6-8-20-9-7-13/h4-12,16,19,24-25H,1-3H2
InChIKeyJBHMPMHVJVPLAO-UHFFFAOYSA-N
XLogP2.59
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol?
The IUPAC name of pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol (CID 90858289) is pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol.
What is the SMILES notation for pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol?
The canonical SMILES for pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol is OC(NC1CCCc2ccc(-c3ccncc3)nc21)c1cnccn1.
What is the InChIKey of pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol?
The InChIKey is JBHMPMHVJVPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(17-12-21-10-11-22-17)24-16-3-1-2-14-4-5-15(23-18(14)16)13-6-8-20-9-7-13/h4-12,16,19,24-25H,1-3H2.
What are the key properties of pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol?
pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol has a molecular weight of 333.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(2-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-8-yl)amino]methanol is sourced from PubChem (CID 90858289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).