(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol

C14H15NO — CID 134838021

IUPAC(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-14(2,16)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,16H,1-2H3/b8-7+
InChIKeyRYSUMFGUBGFFNN-BQYQJAHWSA-N
MW213.28 g/mol
LogP3.02
Rot. Bonds2

About (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol

(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol (PubChem CID 134838021) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
PubChem CID134838021
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-14(2,16)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,16H,1-2H3/b8-7+
InChIKeyRYSUMFGUBGFFNN-BQYQJAHWSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one
CID 178074847
3-[(E)-3-ethoxyprop-1-enyl]quinoline
CID 70971810

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol (CID 134838021) is (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol is CC(C)(O)/C=C/c1cnc2ccccc2c1.
What is the InChIKey of (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol?
The InChIKey is RYSUMFGUBGFFNN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2,16)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,16H,1-2H3/b8-7+.
What are the key properties of (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol?
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol has a molecular weight of 213.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol is sourced from PubChem (CID 134838021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).