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

C21H22N2O4 — CID 3464201

IUPACN-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C3CCCO3)cc2c1
InChIInChI=1S/C21H22N2O4/c1-14-6-7-18-15(10-14)11-16(20(24)22-18)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2,4,6-8,10-11,19H,3,5,9,12-13H2,1H3,(H,22,24)
InChIKeyWTYHTWHOXVKITD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.14
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 3464201) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
PubChem CID3464201
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C3CCCO3)cc2c1
InChIInChI=1S/C21H22N2O4/c1-14-6-7-18-15(10-14)11-16(20(24)22-18)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2,4,6-8,10-11,19H,3,5,9,12-13H2,1H3,(H,22,24)
InChIKeyWTYHTWHOXVKITD-UHFFFAOYSA-N
XLogP3.14
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 4886888
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
CID 3193910
N-[(2-methoxyphenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 5056743
3-ethyl-1-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1176871
(2R)-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2037041
N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 43819147
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1141828
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
(2R)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
CID 7141027
N-cyclopentyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3671116
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1174899

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide (CID 3464201) is N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide is Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C3CCCO3)cc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is WTYHTWHOXVKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-6-7-18-15(10-14)11-16(20(24)22-18)12-23(13-17-4-2-8-26-17)21(25)19-5-3-9-27-19/h2,4,6-8,10-11,19H,3,5,9,12-13H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide?
N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 3464201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).