3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one

C24H28N6O3 — CID 3470075

IUPAC3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)CC3CCCO3)cc12
InChIInChI=1S/C24H28N6O3/c1-16-7-8-17(2)23-21(16)11-18(24(31)25-23)12-29(13-19-5-3-9-32-19)15-22-26-27-28-30(22)14-20-6-4-10-33-20/h4,6-8,10-11,19H,3,5,9,12-15H2,1-2H3,(H,25,31)
InChIKeyYMUKCHNKQDSONJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.95
Rot. Bonds8

About 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one

3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 3470075) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID3470075
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)CC3CCCO3)cc12
InChIInChI=1S/C24H28N6O3/c1-16-7-8-17(2)23-21(16)11-18(24(31)25-23)12-29(13-19-5-3-9-32-19)15-22-26-27-28-30(22)14-20-6-4-10-33-20/h4,6-8,10-11,19H,3,5,9,12-15H2,1-2H3,(H,25,31)
InChIKeyYMUKCHNKQDSONJ-UHFFFAOYSA-N
XLogP2.95
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3200569
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1463977
3-[[1,3-benzodioxol-5-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 646473
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171210
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
3-[[benzyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200597
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463896
8-[[furan-2-ylmethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464359
3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 51668104
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171238
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3200575
cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382742

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one (CID 3470075) is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)CC3CCCO3)cc12.
What is the InChIKey of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is YMUKCHNKQDSONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-7-8-17(2)23-21(16)11-18(24(31)25-23)12-29(13-19-5-3-9-32-19)15-22-26-27-28-30(22)14-20-6-4-10-33-20/h4,6-8,10-11,19H,3,5,9,12-15H2,1-2H3,(H,25,31).
What are the key properties of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 448.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3470075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).