6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one

C22H30N6O — CID 651757

IUPAC6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1
InChIInChI=1S/C22H30N6O/c1-6-22(4,5)28-20(24-25-26-28)19(27-9-7-8-10-27)17-13-16-12-14(2)11-15(3)18(16)23-21(17)29/h11-13,19H,6-10H2,1-5H3,(H,23,29)
InChIKeyYTYCIFFWHVOSCH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.46
Rot. Bonds5

About 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one

6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one (PubChem CID 651757) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
PubChem CID651757
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1
InChIInChI=1S/C22H30N6O/c1-6-22(4,5)28-20(24-25-26-28)19(27-9-7-8-10-27)17-13-16-12-14(2)11-15(3)18(16)23-21(17)29/h11-13,19H,6-10H2,1-5H3,(H,23,29)
InChIKeyYTYCIFFWHVOSCH-UHFFFAOYSA-N
XLogP3.46
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 644452
6,8-dimethyl-3-[(3-methyl-1-piperidinyl)-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-1H-quinolin-2-one
CID 646618
6-Methyl-3-{morpholin-4-yl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 646659
3-{[4-(2-Fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 646864
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647382
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647547
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647943
6-Ethyl-3-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(4-phenyl-piperazin-1-yl)-methyl]-1H-quinolin-2-one
CID 649350
3-{Azepan-1-yl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6-methyl-1H-quinolin-2-one
CID 649785
3-{[{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-propyl}-(3-hydroxy-propyl)-amino]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 650517
3-{[(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-methyl}-8-methyl-1H-quinolin-2-one
CID 650537

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one (CID 651757) is 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1.
What is the InChIKey of 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one?
The InChIKey is YTYCIFFWHVOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-6-22(4,5)28-20(24-25-26-28)19(27-9-7-8-10-27)17-13-16-12-14(2)11-15(3)18(16)23-21(17)29/h11-13,19H,6-10H2,1-5H3,(H,23,29).
What are the key properties of 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 651757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).