7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C23H26N6O2S — CID 644918

IUPAC7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N6O2S/c1-16-6-7-17-11-18(23(30)24-21(17)10-16)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30)
InChIKeyBLYMAJLIXHFEIA-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.27
Rot. Bonds8

About 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 644918) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID644918
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N6O2S/c1-16-6-7-17-11-18(23(30)24-21(17)10-16)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30)
InChIKeyBLYMAJLIXHFEIA-UHFFFAOYSA-N
XLogP3.27
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(5-{1-[(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amino]-propyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 649403
6-Methyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 649550
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-7-methyl-1H-quinolin-2-one
CID 650094
7,8-Dimethyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 654214
6,7-Dimethyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 644586
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646682
5,7-Dimethyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 647031
3-({[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-thiophen-2-ylmethyl-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 653699
3-({[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-thiophen-2-ylmethyl-amino}-methyl)-6-methyl-1H-quinolin-2-one
CID 654769
(5-{[(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amino]-methyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 1170669
(5-{[(6,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amino]-methyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 1171162
(5-{2-Methyl-1-[(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amino]-propyl}-tetrazol-1-yl)-acetic acid ethyl ester
CID 3204333

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 644918) is 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is BLYMAJLIXHFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-16-6-7-17-11-18(23(30)24-21(17)10-16)12-28(14-20-5-3-9-32-20)15-22-25-26-27-29(22)13-19-4-2-8-31-19/h3,5-7,9-11,19H,2,4,8,12-15H2,1H3,(H,24,30).
What are the key properties of 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 450.57 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 644918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).