3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one

C28H30N6O3 — CID 3200824

IUPAC3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(CC)c3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)19-24-11-8-14-37-24)33(17-20-9-6-5-7-10-20)18-22-15-21-16-23(36-4-2)12-13-25(21)29-28(22)35/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,35)
InChIKeyIINGMSIYMIJREP-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.71
Rot. Bonds11

About 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one

3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3200824) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID3200824
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(CC)c3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)19-24-11-8-14-37-24)33(17-20-9-6-5-7-10-20)18-22-15-21-16-23(36-4-2)12-13-25(21)29-28(22)35/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,35)
InChIKeyIINGMSIYMIJREP-UHFFFAOYSA-N
XLogP4.71
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3200963
6-ethoxy-3-[[furan-2-ylmethyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3201105
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-[(4-methoxyphenyl)methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 98103984
3-[[benzyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1464948
6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199214
3-[[(4-fluorophenyl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1464844
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-(1-benzyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 1373716
3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465154
3-[[(4-fluorophenyl)methyl-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1464951
3-[[benzyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 51667813
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-[2-(3-methylphenyl)ethyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 98104165
7-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3200871

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 3200824) is 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(CC)c3nnnn3Cc3ccco3)cc2c1.
What is the InChIKey of 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is IINGMSIYMIJREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)19-24-11-8-14-37-24)33(17-20-9-6-5-7-10-20)18-22-15-21-16-23(36-4-2)12-13-25(21)29-28(22)35/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,35).
What are the key properties of 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 498.59 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3200824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).