N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide

C24H26N2O3 — CID 3193910

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1
InChIInChI=1S/C24H26N2O3/c1-16-5-8-18(9-6-16)14-26(24(28)22-4-3-11-29-22)15-20-13-19-12-17(2)7-10-21(19)25-23(20)27/h5-10,12-13,22H,3-4,11,14-15H2,1-2H3,(H,25,27)
InChIKeyVXISTCKVPSJJKS-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.85
Rot. Bonds5

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 3193910) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
PubChem CID3193910
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1
InChIInChI=1S/C24H26N2O3/c1-16-5-8-18(9-6-16)14-26(24(28)22-4-3-11-29-22)15-20-13-19-12-17(2)7-10-21(19)25-23(20)27/h5-10,12-13,22H,3-4,11,14-15H2,1-2H3,(H,25,27)
InChIKeyVXISTCKVPSJJKS-UHFFFAOYSA-N
XLogP3.85
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide (CID 3193910) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide is Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is VXISTCKVPSJJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-5-8-18(9-6-16)14-26(24(28)22-4-3-11-29-22)15-20-13-19-12-17(2)7-10-21(19)25-23(20)27/h5-10,12-13,22H,3-4,11,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 3193910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).