2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide

C20H26N2O3 — CID 667348

IUPAC2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)20(24)22(12-17-5-4-8-25-17)11-16-10-15-7-6-14(3)9-18(15)21-19(16)23/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,21,23)
InChIKeyZOBMZRAZPNMZIF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide

2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 667348) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID667348
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)20(24)22(12-17-5-4-8-25-17)11-16-10-15-7-6-14(3)9-18(15)21-19(16)23/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,21,23)
InChIKeyZOBMZRAZPNMZIF-UHFFFAOYSA-N
XLogP3.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 667348) is 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc2cc(CN(CC3CCCO3)C(=O)C(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZOBMZRAZPNMZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)20(24)22(12-17-5-4-8-25-17)11-16-10-15-7-6-14(3)9-18(15)21-19(16)23/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 667348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).