3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one

C23H34N6O2 — CID 651243

IUPAC3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C23H34N6O2/c1-6-19(21-25-26-27-29(21)23(4,5)7-2)28(12-9-13-30)15-18-14-17-11-8-10-16(3)20(17)24-22(18)31/h8,10-11,14,19,30H,6-7,9,12-13,15H2,1-5H3,(H,24,31)
InChIKeySGAVGCYOSNHLHH-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.30
Rot. Bonds10

About 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one

3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 651243) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID651243
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C23H34N6O2/c1-6-19(21-25-26-27-29(21)23(4,5)7-2)28(12-9-13-30)15-18-14-17-11-8-10-16(3)20(17)24-22(18)31/h8,10-11,14,19,30H,6-7,9,12-13,15H2,1-5H3,(H,24,31)
InChIKeySGAVGCYOSNHLHH-UHFFFAOYSA-N
XLogP3.30
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-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
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-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
3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 648352
3-{Azepan-1-yl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6-methyl-1H-quinolin-2-one
CID 649785
3-{[(2-Hydroxy-ethyl)-(1-phenethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 650048
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
3-{(Benzyl-ethyl-amino)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 651642
3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 651757
3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-cyclopentyl-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 652741

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one (CID 651243) is 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one is CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is SGAVGCYOSNHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-6-19(21-25-26-27-29(21)23(4,5)7-2)28(12-9-13-30)15-18-14-17-11-8-10-16(3)20(17)24-22(18)31/h8,10-11,14,19,30H,6-7,9,12-13,15H2,1-5H3,(H,24,31).
What are the key properties of 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 426.57 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 651243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).