7-methoxy-1-methyl-8-pentoxyquinolin-2-one

C16H21NO3 — CID 141025683

IUPAC7-methoxy-1-methyl-8-pentoxyquinolin-2-one
SMILESCCCCCOc1c(OC)ccc2ccc(=O)n(C)c12
InChIInChI=1S/C16H21NO3/c1-4-5-6-11-20-16-13(19-3)9-7-12-8-10-14(18)17(2)15(12)16/h7-10H,4-6,11H2,1-3H3
InChIKeyMDGFFHHEHRBDTI-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.12
Rot. Bonds6

About 7-methoxy-1-methyl-8-pentoxyquinolin-2-one

7-methoxy-1-methyl-8-pentoxyquinolin-2-one (PubChem CID 141025683) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-methoxy-1-methyl-8-pentoxyquinolin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-8-pentoxyquinolin-2-one
PubChem CID141025683
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name7-methoxy-1-methyl-8-pentoxyquinolin-2-one
SMILESCCCCCOc1c(OC)ccc2ccc(=O)n(C)c12
InChIInChI=1S/C16H21NO3/c1-4-5-6-11-20-16-13(19-3)9-7-12-8-10-14(18)17(2)15(12)16/h7-10H,4-6,11H2,1-3H3
InChIKeyMDGFFHHEHRBDTI-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-1-methylquinolin-2-one
CID 742791
7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11573063
2-(7-methoxy-1-methyl-2-oxoquinolin-8-yl)acetaldehyde
CID 86646251
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
2-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-4-pentoxy-3H-isoindol-1-one
CID 19363480
4-methoxy-3-pentoxybenzamide
CID 82041442
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
5-(3-methoxy-4-pentoxyanilino)-1,3-dimethylbenzimidazol-2-one
CID 167300018
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-8-pentoxyquinolin-2-one?
The IUPAC name of 7-methoxy-1-methyl-8-pentoxyquinolin-2-one (CID 141025683) is 7-methoxy-1-methyl-8-pentoxyquinolin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-8-pentoxyquinolin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-8-pentoxyquinolin-2-one is CCCCCOc1c(OC)ccc2ccc(=O)n(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-8-pentoxyquinolin-2-one?
The InChIKey is MDGFFHHEHRBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-5-6-11-20-16-13(19-3)9-7-12-8-10-14(18)17(2)15(12)16/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 7-methoxy-1-methyl-8-pentoxyquinolin-2-one?
7-methoxy-1-methyl-8-pentoxyquinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-8-pentoxyquinolin-2-one is sourced from PubChem (CID 141025683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).