3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H22N6O2S — CID 110224951

IUPAC3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC1Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C20H22N6O2S/c27-19-15(11-13-5-1-2-7-16(13)21-19)20(28)25-9-3-6-14(25)12-26-23-18(22-24-26)17-8-4-10-29-17/h4,8,10-11,14H,1-3,5-7,9,12H2,(H,21,27)
InChIKeyVODJUQYERLNMIO-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.27
Rot. Bonds4

About 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 110224951) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID110224951
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC1Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C20H22N6O2S/c27-19-15(11-13-5-1-2-7-16(13)21-19)20(28)25-9-3-6-14(25)12-26-23-18(22-24-26)17-8-4-10-29-17/h4,8,10-11,14H,1-3,5-7,9,12H2,(H,21,27)
InChIKeyVODJUQYERLNMIO-UHFFFAOYSA-N
XLogP2.27
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 46967760
3-[4-methyl-3-oxo-2-[(4-thiophen-2-ylphenyl)methyl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110088215
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-1-[(2R)-2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 92571623
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71893548
2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924717
1-[(2S)-2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 92578282
(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144444
3-[3-(4-phenylbenzoyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 45233480
3-(2-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119473139
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 110224951) is 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC1Cn1nnc(-c2cccs2)n1.
What is the InChIKey of 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is VODJUQYERLNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c27-19-15(11-13-5-1-2-7-16(13)21-19)20(28)25-9-3-6-14(25)12-26-23-18(22-24-26)17-8-4-10-29-17/h4,8,10-11,14H,1-3,5-7,9,12H2,(H,21,27).
What are the key properties of 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 410.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 110224951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).