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

C27H28N6O3 — CID 651078

IUPAC6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C27H28N6O3/c1-3-19-10-11-24-21(13-19)14-22(27(34)28-24)16-32(15-20-7-4-5-9-25(20)35-2)18-26-29-30-31-33(26)17-23-8-6-12-36-23/h4-14H,3,15-18H2,1-2H3,(H,28,34)
InChIKeyXXPPQTQOGOVTBR-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.93
Rot. Bonds10

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

6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 651078) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID651078
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3Cc3ccco3)cc2c1
InChIInChI=1S/C27H28N6O3/c1-3-19-10-11-24-21(13-19)14-22(27(34)28-24)16-32(15-20-7-4-5-9-25(20)35-2)18-26-29-30-31-33(26)17-23-8-6-12-36-23/h4-14H,3,15-18H2,1-2H3,(H,28,34)
InChIKeyXXPPQTQOGOVTBR-UHFFFAOYSA-N
XLogP3.93
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-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-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 644766
(5-{[(6,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-(4-methoxy-benzyl)-amino]-methyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 644819
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
6-Ethyl-3-({(4-methoxy-benzyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-1H-quinolin-2-one
CID 645419
3-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-phenethyl-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645429
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
6-Ethyl-3-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-morpholin-4-yl-methyl}-1H-quinolin-2-one
CID 647792

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (CID 651078) is 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3Cc3ccco3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is XXPPQTQOGOVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-3-19-10-11-24-21(13-19)14-22(27(34)28-24)16-32(15-20-7-4-5-9-25(20)35-2)18-26-29-30-31-33(26)17-23-8-6-12-36-23/h4-14H,3,15-18H2,1-2H3,(H,28,34).
What are the key properties of 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 484.56 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 651078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).