2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C19H26N2O3 — CID 100745016

IUPAC2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NCCCOC(C)C)c2c1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-9-5-7-20-18(23)12-21-8-6-17(22)19-15(4)10-14(3)11-16(19)21/h6,8,10-11,13H,5,7,9,12H2,1-4H3,(H,20,23)
InChIKeyPZVLSRXHBNWWOG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds7

About 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 100745016) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID100745016
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NCCCOC(C)C)c2c1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-9-5-7-20-18(23)12-21-8-6-17(22)19-15(4)10-14(3)11-16(19)21/h6,8,10-11,13H,5,7,9,12H2,1-4H3,(H,20,23)
InChIKeyPZVLSRXHBNWWOG-UHFFFAOYSA-N
XLogP2.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100737481
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100743776
N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 100744235
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 100745155
N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
5,7-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100744816
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744676
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 100745016) is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)NCCCOC(C)C)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PZVLSRXHBNWWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)24-9-5-7-20-18(23)12-21-8-6-17(22)19-15(4)10-14(3)11-16(19)21/h6,8,10-11,13H,5,7,9,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 100745016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).