3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

C26H26N6O3 — CID 645429

IUPAC3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1
InChIInChI=1S/C26H26N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-10,13-15H,11-12,16-18H2,1H3,(H,27,33)
InChIKeyBFNUVXZMAKUHEK-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.41
Rot. Bonds10

About 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 645429) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID645429
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1
InChIInChI=1S/C26H26N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-10,13-15H,11-12,16-18H2,1H3,(H,27,33)
InChIKeyBFNUVXZMAKUHEK-UHFFFAOYSA-N
XLogP3.41
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 644541
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
7-[[furan-2-ylmethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 645377
6-Ethyl-3-({(4-methoxy-benzyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-1H-quinolin-2-one
CID 645419
3-{Azepan-1-yl-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645819
3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 645974
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646225
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 646349
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
CID 647004
3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647557
6-Ethoxy-3-[(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-(3-methyl-piperidin-1-yl)-methyl]-1H-quinolin-2-one
CID 647948

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 645429) is 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is BFNUVXZMAKUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-10,13-15H,11-12,16-18H2,1H3,(H,27,33).
What are the key properties of 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 470.53 g/mol, XLogP of 3.41, 10 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-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 645429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).