[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol

C16H13ClN2O — CID 66554431

IUPAC[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
SMILESOCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H13ClN2O/c17-12-4-5-14-15(6-7-18-16(14)9-12)19-13-3-1-2-11(8-13)10-20/h1-9,20H,10H2,(H,18,19)
InChIKeyNXZNQCJTFIJYTL-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.12
Rot. Bonds3

About [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol

[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol (PubChem CID 66554431) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
PubChem CID66554431
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol
SMILESOCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H13ClN2O/c17-12-4-5-14-15(6-7-18-16(14)9-12)19-13-3-1-2-11(8-13)10-20/h1-9,20H,10H2,(H,18,19)
InChIKeyNXZNQCJTFIJYTL-UHFFFAOYSA-N
XLogP4.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol (CID 66554431) is [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol is OCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
The InChIKey is NXZNQCJTFIJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-4-5-14-15(6-7-18-16(14)9-12)19-13-3-1-2-11(8-13)10-20/h1-9,20H,10H2,(H,18,19).
What are the key properties of [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol?
[3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol has a molecular weight of 284.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(7-chloroquinolin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 66554431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).