3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

C25H28N6O4 — CID 3187865

IUPAC3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCc2ccccc21
InChIInChI=1S/C25H28N6O4/c1-33-12-11-31-24(27-28-29-31)23(30-10-6-8-16-7-4-5-9-20(16)30)18-13-17-14-21(34-2)22(35-3)15-19(17)26-25(18)32/h4-5,7,9,13-15,23H,6,8,10-12H2,1-3H3,(H,26,32)
InChIKeyUWFXCZRARZQMJO-UHFFFAOYSA-N
MW476.54 g/mol
LogP2.72
Rot. Bonds8

About 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 3187865) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID3187865
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCc2ccccc21
InChIInChI=1S/C25H28N6O4/c1-33-12-11-31-24(27-28-29-31)23(30-10-6-8-16-7-4-5-9-20(16)30)18-13-17-14-21(34-2)22(35-3)15-19(17)26-25(18)32/h4-5,7,9,13-15,23H,6,8,10-12H2,1-3H3,(H,26,32)
InChIKeyUWFXCZRARZQMJO-UHFFFAOYSA-N
XLogP2.72
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(S)-3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40586976
3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183572
3-[(S)-2,3-dihydroindol-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40586984
6,7-dimethoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 40588778
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1157894
8-[3,4-dihydro-2H-quinolin-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3852291
3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3748217
3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1455888
3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3183170
3-[(R)-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 28608440
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148805
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 1146010

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 3187865) is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one is COCCn1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCc2ccccc21.
What is the InChIKey of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is UWFXCZRARZQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-33-12-11-31-24(27-28-29-31)23(30-10-6-8-16-7-4-5-9-20(16)30)18-13-17-14-21(34-2)22(35-3)15-19(17)26-25(18)32/h4-5,7,9,13-15,23H,6,8,10-12H2,1-3H3,(H,26,32).
What are the key properties of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 476.54 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3187865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).