3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

C26H32N6O2 — CID 3204292

IUPAC3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C26H32N6O2/c1-17(2)24(25-28-29-30-32(25)21-10-4-5-11-21)31(16-22-12-7-13-34-22)15-20-14-19-9-6-8-18(3)23(19)27-26(20)33/h6-9,12-14,17,21,24H,4-5,10-11,15-16H2,1-3H3,(H,27,33)
InChIKeyBGHVHBNKLYONIS-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.93
Rot. Bonds8

About 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 3204292) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
PubChem CID3204292
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12
InChIInChI=1S/C26H32N6O2/c1-17(2)24(25-28-29-30-32(25)21-10-4-5-11-21)31(16-22-12-7-13-34-22)15-20-14-19-9-6-8-18(3)23(19)27-26(20)33/h6-9,12-14,17,21,24H,4-5,10-11,15-16H2,1-3H3,(H,27,33)
InChIKeyBGHVHBNKLYONIS-UHFFFAOYSA-N
XLogP4.93
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[furan-2-ylmethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 124899540
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[2-(2-methylphenyl)ethyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204346
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1436089
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204405
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170879
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3150169
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(thiophen-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1436854
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3203354
3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204306
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465100
3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199854
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3203374

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (CID 3204292) is 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12.
What is the InChIKey of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is BGHVHBNKLYONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-17(2)24(25-28-29-30-32(25)21-10-4-5-11-21)31(16-22-12-7-13-34-22)15-20-14-19-9-6-8-18(3)23(19)27-26(20)33/h6-9,12-14,17,21,24H,4-5,10-11,15-16H2,1-3H3,(H,27,33).
What are the key properties of 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one?
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 460.58 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3204292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).