2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol

C14H18N2O3 — CID 107850850

IUPAC2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O3/c17-8-14(9-18,10-19)16-7-11-3-4-13-12(6-11)2-1-5-15-13/h1-6,16-19H,7-10H2
InChIKeyDFLBDLKSTIMLHS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.04
Rot. Bonds6

About 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol (PubChem CID 107850850) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
PubChem CID107850850
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O3/c17-8-14(9-18,10-19)16-7-11-3-4-13-12(6-11)2-1-5-15-13/h1-6,16-19H,7-10H2
InChIKeyDFLBDLKSTIMLHS-UHFFFAOYSA-N
XLogP0.04
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
(2S)-2-cyclobutyl-N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 45104224
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
(3S)-3,5-dimethyl-N-(quinolin-6-ylmethyl)hex-1-yn-3-amine
CID 45104223
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol (CID 107850850) is 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol is OCC(CO)(CO)NCc1ccc2ncccc2c1.
What is the InChIKey of 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol?
The InChIKey is DFLBDLKSTIMLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-8-14(9-18,10-19)16-7-11-3-4-13-12(6-11)2-1-5-15-13/h1-6,16-19H,7-10H2.
What are the key properties of 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol has a molecular weight of 262.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 107850850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).