5-[(3-chloroanilino)methyl]quinolin-8-ol

C16H13ClN2O — CID 698143

IUPAC5-[(3-chloroanilino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2cccc(Cl)c2)c2cccnc12
InChIInChI=1S/C16H13ClN2O/c17-12-3-1-4-13(9-12)19-10-11-6-7-15(20)16-14(11)5-2-8-18-16/h1-9,19-20H,10H2
InChIKeyOGQDPGHPYWCOOX-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.21
Rot. Bonds3

About 5-[(3-chloroanilino)methyl]quinolin-8-ol

5-[(3-chloroanilino)methyl]quinolin-8-ol (PubChem CID 698143) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-[(3-chloroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(3-chloroanilino)methyl]quinolin-8-ol
PubChem CID698143
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-[(3-chloroanilino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2cccc(Cl)c2)c2cccnc12
InChIInChI=1S/C16H13ClN2O/c17-12-3-1-4-13(9-12)19-10-11-6-7-15(20)16-14(11)5-2-8-18-16/h1-9,19-20H,10H2
InChIKeyOGQDPGHPYWCOOX-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloroanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(3-chloroanilino)methyl]quinolin-8-ol (CID 698143) is 5-[(3-chloroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(3-chloroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(3-chloroanilino)methyl]quinolin-8-ol is Oc1ccc(CNc2cccc(Cl)c2)c2cccnc12.
What is the InChIKey of 5-[(3-chloroanilino)methyl]quinolin-8-ol?
The InChIKey is OGQDPGHPYWCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-3-1-4-13(9-12)19-10-11-6-7-15(20)16-14(11)5-2-8-18-16/h1-9,19-20H,10H2.
What are the key properties of 5-[(3-chloroanilino)methyl]quinolin-8-ol?
5-[(3-chloroanilino)methyl]quinolin-8-ol has a molecular weight of 284.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 698143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).