3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

C26H32N6O2 — CID 1465100

IUPAC3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C26H32N6O2/c1-4-24(25-28-29-30-32(25)20-8-5-6-9-20)31(16-21-10-7-11-34-21)15-19-14-22-18(3)12-17(2)13-23(22)27-26(19)33/h7,10-14,20,24H,4-6,8-9,15-16H2,1-3H3,(H,27,33)/t24-/m1/s1
InChIKeyODWZYJBCWYBHEI-XMMPIXPASA-N
MW460.58 g/mol
LogP4.99
Rot. Bonds8

About 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 1465100) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
PubChem CID1465100
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C26H32N6O2/c1-4-24(25-28-29-30-32(25)20-8-5-6-9-20)31(16-21-10-7-11-34-21)15-19-14-22-18(3)12-17(2)13-23(22)27-26(19)33/h7,10-14,20,24H,4-6,8-9,15-16H2,1-3H3,(H,27,33)/t24-/m1/s1
InChIKeyODWZYJBCWYBHEI-XMMPIXPASA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199854
3-[[[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(thiophen-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465101
3-[[furan-2-ylmethyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 51667751
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465111
3-[(1-cyclohexyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3150269
3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465144
3-[[furan-2-ylmethyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203656
3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-[(2-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465157
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 3203525
3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1465154
3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203335
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200848

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 1465100) is 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O.
What is the InChIKey of 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is ODWZYJBCWYBHEI-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32N6O2/c1-4-24(25-28-29-30-32(25)20-8-5-6-9-20)31(16-21-10-7-11-34-21)15-19-14-22-18(3)12-17(2)13-23(22)27-26(19)33/h7,10-14,20,24H,4-6,8-9,15-16H2,1-3H3,(H,27,33)/t24-/m1/s1.
What are the key properties of 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 460.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1465100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).