2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol

C13H15ClN2O2 — CID 75444411

IUPAC2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol
SMILESCc1c(Cl)ccc2ccc(NC(CO)CO)nc12
InChIInChI=1S/C13H15ClN2O2/c1-8-11(14)4-2-9-3-5-12(16-13(8)9)15-10(6-17)7-18/h2-5,10,17-18H,6-7H2,1H3,(H,15,16)
InChIKeyPQVUUTNVDBKNDK-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.96
Rot. Bonds4

About 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol

2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol (PubChem CID 75444411) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol
PubChem CID75444411
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol
SMILESCc1c(Cl)ccc2ccc(NC(CO)CO)nc12
InChIInChI=1S/C13H15ClN2O2/c1-8-11(14)4-2-9-3-5-12(16-13(8)9)15-10(6-17)7-18/h2-5,10,17-18H,6-7H2,1H3,(H,15,16)
InChIKeyPQVUUTNVDBKNDK-UHFFFAOYSA-N
XLogP1.96
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol (CID 75444411) is 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol is Cc1c(Cl)ccc2ccc(NC(CO)CO)nc12.
What is the InChIKey of 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol?
The InChIKey is PQVUUTNVDBKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-11(14)4-2-9-3-5-12(16-13(8)9)15-10(6-17)7-18/h2-5,10,17-18H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol?
2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol has a molecular weight of 266.73 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 75444411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).