2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C13H17N3O3 — CID 107845874

IUPAC2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1cnc2ccccc2c1NC(CO)(CO)CO
InChIInChI=1S/C13H17N3O3/c14-10-5-15-11-4-2-1-3-9(11)12(10)16-13(6-17,7-18)8-19/h1-5,17-19H,6-8,14H2,(H,15,16)
InChIKeyPVPNIVUUWOGLIV-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845874) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845874
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1cnc2ccccc2c1NC(CO)(CO)CO
InChIInChI=1S/C13H17N3O3/c14-10-5-15-11-4-2-1-3-9(11)12(10)16-13(6-17,7-18)8-19/h1-5,17-19H,6-8,14H2,(H,15,16)
InChIKeyPVPNIVUUWOGLIV-UHFFFAOYSA-N
XLogP-0.06
TPSA111.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845874) is 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is Nc1cnc2ccccc2c1NC(CO)(CO)CO.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is PVPNIVUUWOGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-5-15-11-4-2-1-3-9(11)12(10)16-13(6-17,7-18)8-19/h1-5,17-19H,6-8,14H2,(H,15,16).
What are the key properties of 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).