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

C22H24N2O2 — CID 18433057

IUPAC3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(C2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-14-18(26)13-23-22-12-21(24-20-8-4-3-7-19(20)22)17-10-9-15-5-1-2-6-16(15)11-17/h1-8,12,17-18,25-26H,9-11,13-14H2,(H,23,24)
InChIKeyKMZCTCFUSILKDG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds5

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

3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 18433057) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID18433057
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(C2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-14-18(26)13-23-22-12-21(24-20-8-4-3-7-19(20)22)17-10-9-15-5-1-2-6-16(15)11-17/h1-8,12,17-18,25-26H,9-11,13-14H2,(H,23,24)
InChIKeyKMZCTCFUSILKDG-UHFFFAOYSA-N
XLogP3.27
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol (CID 18433057) is 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol is OCC(O)CNc1cc(C2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is KMZCTCFUSILKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-14-18(26)13-23-22-12-21(24-20-8-4-3-7-19(20)22)17-10-9-15-5-1-2-6-16(15)11-17/h1-8,12,17-18,25-26H,9-11,13-14H2,(H,23,24).
What are the key properties of 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol?
3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 348.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 18433057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).