3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol

C19H19ClN2O2 — CID 18433071

IUPAC3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-6-7-13(8-16(12)20)18-9-19(21-10-14(24)11-23)15-4-2-3-5-17(15)22-18/h2-9,14,23-24H,10-11H2,1H3,(H,21,22)
InChIKeyGFAATVVLPKGLSN-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.63
Rot. Bonds5

About 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol

3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 18433071) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID18433071
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-6-7-13(8-16(12)20)18-9-19(21-10-14(24)11-23)15-4-2-3-5-17(15)22-18/h2-9,14,23-24H,10-11H2,1H3,(H,21,22)
InChIKeyGFAATVVLPKGLSN-UHFFFAOYSA-N
XLogP3.63
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (CID 18433071) is 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is Cc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1Cl.
What is the InChIKey of 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is GFAATVVLPKGLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-6-7-13(8-16(12)20)18-9-19(21-10-14(24)11-23)15-4-2-3-5-17(15)22-18/h2-9,14,23-24H,10-11H2,1H3,(H,21,22).
What are the key properties of 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 342.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 18433071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).