N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide

C20H26N2O3 — CID 667133

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)11-22(20(24)18-5-4-8-25-18)12-16-10-15-7-6-14(3)9-17(15)21-19(16)23/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,21,23)
InChIKeyPTZWSNNLVUNWIL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 667133) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide
PubChem CID667133
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)11-22(20(24)18-5-4-8-25-18)12-16-10-15-7-6-14(3)9-17(15)21-19(16)23/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,21,23)
InChIKeyPTZWSNNLVUNWIL-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 N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide (CID 667133) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide is Cc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is PTZWSNNLVUNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)11-22(20(24)18-5-4-8-25-18)12-16-10-15-7-6-14(3)9-17(15)21-19(16)23/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide 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 N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 667133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).