3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one

C24H32N6O2 — CID 650383

IUPAC3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N6O2/c1-29(17-8-4-3-5-9-17)22(23-26-27-28-30(23)18-10-6-7-11-18)20-15-16-14-19(32-2)12-13-21(16)25-24(20)31/h12-15,17-18,22H,3-11H2,1-2H3,(H,25,31)
InChIKeyIKQUGQLRBNSFLW-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.99
Rot. Bonds6

About 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one

3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 650383) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID650383
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1
InChIInChI=1S/C24H32N6O2/c1-29(17-8-4-3-5-9-17)22(23-26-27-28-30(23)18-10-6-7-11-18)20-15-16-14-19(32-2)12-13-21(16)25-24(20)31/h12-15,17-18,22H,3-11H2,1-2H3,(H,25,31)
InChIKeyIKQUGQLRBNSFLW-UHFFFAOYSA-N
XLogP3.99
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one (CID 650383) is 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is IKQUGQLRBNSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-29(17-8-4-3-5-9-17)22(23-26-27-28-30(23)18-10-6-7-11-18)20-15-16-14-19(32-2)12-13-21(16)25-24(20)31/h12-15,17-18,22H,3-11H2,1-2H3,(H,25,31).
What are the key properties of 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one?
3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 436.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 650383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).