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

C24H24N6O3 — CID 1463979

IUPAC6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C24H24N6O3/c1-2-17-7-8-22-18(11-17)12-19(24(31)25-22)13-29(14-20-5-3-9-32-20)16-23-26-27-28-30(23)15-21-6-4-10-33-21/h3-12H,2,13-16H2,1H3,(H,25,31)
InChIKeyLSRWSPBMBIIQRS-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.51
Rot. Bonds9

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

6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 1463979) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID1463979
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C24H24N6O3/c1-2-17-7-8-22-18(11-17)12-19(24(31)25-22)13-29(14-20-5-3-9-32-20)16-23-26-27-28-30(23)15-21-6-4-10-33-21/h3-12H,2,13-16H2,1H3,(H,25,31)
InChIKeyLSRWSPBMBIIQRS-UHFFFAOYSA-N
XLogP3.51
TPSA105.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

CID 648696
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CID 644541
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CID 644766
CID 644766
CID 645256
CID 645256
CID 645419
CID 645419
CID 645429
CID 645429
CID 645974
CID 645974
CID 646133
CID 646133
CID 646225
CID 646225
CID 646349
CID 646349
CID 647948
CID 647948
CID 649371
CID 649371

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 1463979) is 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is LSRWSPBMBIIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-2-17-7-8-22-18(11-17)12-19(24(31)25-22)13-29(14-20-5-3-9-32-20)16-23-26-27-28-30(23)15-21-6-4-10-33-21/h3-12H,2,13-16H2,1H3,(H,25,31).
What are the key properties of 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 444.50 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1463979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).