[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol

C16H14ClN3O2 — CID 167840107

IUPAC[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol
SMILESCOc1ccc2ncc(Nc3ccc(CO)c(Cl)c3)nc2c1
InChIInChI=1S/C16H14ClN3O2/c1-22-12-4-5-14-15(7-12)20-16(8-18-14)19-11-3-2-10(9-21)13(17)6-11/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyFQOQXYPCIQIPHB-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.53
Rot. Bonds4

About [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol

[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol (PubChem CID 167840107) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol
PubChem CID167840107
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol
SMILESCOc1ccc2ncc(Nc3ccc(CO)c(Cl)c3)nc2c1
InChIInChI=1S/C16H14ClN3O2/c1-22-12-4-5-14-15(7-12)20-16(8-18-14)19-11-3-2-10(9-21)13(17)6-11/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyFQOQXYPCIQIPHB-UHFFFAOYSA-N
XLogP3.53
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol (CID 167840107) is [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol is COc1ccc2ncc(Nc3ccc(CO)c(Cl)c3)nc2c1.
What is the InChIKey of [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol?
The InChIKey is FQOQXYPCIQIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-22-12-4-5-14-15(7-12)20-16(8-18-14)19-11-3-2-10(9-21)13(17)6-11/h2-8,21H,9H2,1H3,(H,19,20).
What are the key properties of [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol?
[2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol has a molecular weight of 315.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(7-methoxyquinoxalin-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 167840107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).