6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C24H28N6O2S — CID 644586

IUPAC6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H28N6O2S/c1-16-9-18-11-19(24(31)25-22(18)10-17(16)2)12-29(14-21-6-4-8-33-21)15-23-26-27-28-30(23)13-20-5-3-7-32-20/h4,6,8-11,20H,3,5,7,12-15H2,1-2H3,(H,25,31)
InChIKeyGAAMQQPGKNFQEU-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.57
Rot. Bonds8

About 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 644586) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID644586
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H28N6O2S/c1-16-9-18-11-19(24(31)25-22(18)10-17(16)2)12-29(14-21-6-4-8-33-21)15-23-26-27-28-30(23)13-20-5-3-7-32-20/h4,6,8-11,20H,3,5,7,12-15H2,1-2H3,(H,25,31)
InChIKeyGAAMQQPGKNFQEU-UHFFFAOYSA-N
XLogP3.57
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethyl-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

7-Methyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 644918
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 645885
(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
7,8-Dimethyl-3-({[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-thiophen-2-ylmethyl-amino}-methyl)-1H-quinolin-2-one
CID 654214
3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-6,7-dimethyl-1H-quinolin-2-one
CID 655151
3-{[{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-6,7-dimethyl-1H-quinolin-2-one
CID 3199818
3-{[{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 3199955
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)-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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 644586) is 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1cc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2cc1C.
What is the InChIKey of 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is GAAMQQPGKNFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-9-18-11-19(24(31)25-22(18)10-17(16)2)12-29(14-21-6-4-8-33-21)15-23-26-27-28-30(23)13-20-5-3-7-32-20/h4,6,8-11,20H,3,5,7,12-15H2,1-2H3,(H,25,31).
What are the key properties of 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 464.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 644586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).