4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one

C21H29NO4 — CID 57116765

IUPAC4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one
SMILESCC=COc1cccc2c(O)c(OCCCCCCCC)c(=O)n(C)c12
InChIInChI=1S/C21H29NO4/c1-4-6-7-8-9-10-15-26-20-19(23)16-12-11-13-17(25-14-5-2)18(16)22(3)21(20)24/h5,11-14,23H,4,6-10,15H2,1-3H3
InChIKeyYVWSJQAKZHSVHH-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.90
Rot. Bonds10

About 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one

4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one (PubChem CID 57116765) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one
PubChem CID57116765
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one
SMILESCC=COc1cccc2c(O)c(OCCCCCCCC)c(=O)n(C)c12
InChIInChI=1S/C21H29NO4/c1-4-6-7-8-9-10-15-26-20-19(23)16-12-11-13-17(25-14-5-2)18(16)22(3)21(20)24/h5,11-14,23H,4,6-10,15H2,1-3H3
InChIKeyYVWSJQAKZHSVHH-UHFFFAOYSA-N
XLogP4.90
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
3-tetradecoxybenzene-1,2-diol
CID 152769078
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
2-hexoxy-6-hydroxybenzaldehyde
CID 153494115
2,3-dipentoxyphenol
CID 57426098
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one (CID 57116765) is 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one is CC=COc1cccc2c(O)c(OCCCCCCCC)c(=O)n(C)c12.
What is the InChIKey of 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one?
The InChIKey is YVWSJQAKZHSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-4-6-7-8-9-10-15-26-20-19(23)16-12-11-13-17(25-14-5-2)18(16)22(3)21(20)24/h5,11-14,23H,4,6-10,15H2,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one?
4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one has a molecular weight of 359.47 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one is sourced from PubChem (CID 57116765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).