6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C21H24N6O3S — CID 3199032

IUPAC6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C21H24N6O3S/c1-29-8-7-27-20(23-24-25-27)14-26(13-18-4-3-9-31-18)12-16-10-15-11-17(30-2)5-6-19(15)22-21(16)28/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,22,28)
InChIKeyXFYJWBMUDXVJDB-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.43
Rot. Bonds10

About 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3199032) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3199032
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCOCCn1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C21H24N6O3S/c1-29-8-7-27-20(23-24-25-27)14-26(13-18-4-3-9-31-18)12-16-10-15-11-17(30-2)5-6-19(15)22-21(16)28/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,22,28)
InChIKeyXFYJWBMUDXVJDB-UHFFFAOYSA-N
XLogP2.43
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1171660
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199035
3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199013
7-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3213032
7-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199047
3-[[furan-2-ylmethyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3199103
3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3199102
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1171654
6-methoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1171664
7-[[furan-2-ylmethyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3213030
3-[[(1-benzyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1171642
ethyl 2-[5-[[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]tetrazol-1-yl]acetate
CID 3200378

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 3199032) is 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is COCCn1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is XFYJWBMUDXVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-29-8-7-27-20(23-24-25-27)14-26(13-18-4-3-9-31-18)12-16-10-15-11-17(30-2)5-6-19(15)22-21(16)28/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,22,28).
What are the key properties of 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 440.53 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3199032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).