4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol

C14H14N2O — CID 15953790

IUPAC4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
SMILESC#CCN(C)Cc1ccnc2c(O)cccc12
InChIInChI=1S/C14H14N2O/c1-3-9-16(2)10-11-7-8-15-14-12(11)5-4-6-13(14)17/h1,4-8,17H,9-10H2,2H3
InChIKeyKFOAJSBPMTZFPO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.01
Rot. Bonds3

About 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol

4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol (PubChem CID 15953790) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
PubChem CID15953790
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
SMILESC#CCN(C)Cc1ccnc2c(O)cccc12
InChIInChI=1S/C14H14N2O/c1-3-9-16(2)10-11-7-8-15-14-12(11)5-4-6-13(14)17/h1,4-8,17H,9-10H2,2H3
InChIKeyKFOAJSBPMTZFPO-UHFFFAOYSA-N
XLogP2.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-[methyl(prop-2-ynyl)amino]propyl]quinolin-8-ol;hydrochloride
CID 87133859
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
4-tridecylquinolin-8-ol
CID 102274119
4-(2-phenylethyl)quinolin-8-ol
CID 15631338
5-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]quinolin-8-ol
CID 56832886
5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
4-[2-(1-aminocyclopropyl)ethyl]quinolin-8-ol
CID 105485665
[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N-(3,5-dimethyl-1-adamantyl)carbamate
CID 46861941
2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
CID 79284539
CID 69460277
CID 69460277
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol (CID 15953790) is 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol is C#CCN(C)Cc1ccnc2c(O)cccc12.
What is the InChIKey of 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
The InChIKey is KFOAJSBPMTZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-7-8-15-14-12(11)5-4-6-13(14)17/h1,4-8,17H,9-10H2,2H3.
What are the key properties of 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol?
4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol has a molecular weight of 226.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 15953790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).