(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol

C15H17NO — CID 103091245

IUPAC(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol
SMILESC/C(=C\c1ccc2nc(C)ccc2c1)C(C)O
InChIInChI=1S/C15H17NO/c1-10(12(3)17)8-13-5-7-15-14(9-13)6-4-11(2)16-15/h4-9,12,17H,1-3H3/b10-8+
InChIKeyCUJUVFDUXJNCHT-CSKARUKUSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds2

About (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol

(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol (PubChem CID 103091245) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol
PubChem CID103091245
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol
SMILESC/C(=C\c1ccc2nc(C)ccc2c1)C(C)O
InChIInChI=1S/C15H17NO/c1-10(12(3)17)8-13-5-7-15-14(9-13)6-4-11(2)16-15/h4-9,12,17H,1-3H3/b10-8+
InChIKeyCUJUVFDUXJNCHT-CSKARUKUSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379786
(E)-3-methyl-4-(2-methylquinolin-4-yl)but-3-en-2-ol
CID 103091314
(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379788
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
(2Z)-N-tert-butyl-2-[(2-methylquinolin-6-yl)methylidene]butan-1-amine
CID 105379767
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
6-hex-1-enyl-2-methylquinoline
CID 54532579
2-methylquinolin-6-ol
CID 594395
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 103458406

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol?
The IUPAC name of (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol (CID 103091245) is (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol is C/C(=C\c1ccc2nc(C)ccc2c1)C(C)O.
What is the InChIKey of (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol?
The InChIKey is CUJUVFDUXJNCHT-CSKARUKUSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(12(3)17)8-13-5-7-15-14(9-13)6-4-11(2)16-15/h4-9,12,17H,1-3H3/b10-8+.
What are the key properties of (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol?
(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol has a molecular weight of 227.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol is sourced from PubChem (CID 103091245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).