3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one

C23H30N6O3 — CID 651127

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H30N6O3/c1-31-19-13-15-12-17(23(30)24-18(15)14-20(19)32-2)21(28-10-6-3-7-11-28)22-25-26-27-29(22)16-8-4-5-9-16/h12-14,16,21H,3-11H2,1-2H3,(H,24,30)
InChIKeyQMJJTUBRFLGHKA-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.22
Rot. Bonds6

About 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 651127) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID651127
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H30N6O3/c1-31-19-13-15-12-17(23(30)24-18(15)14-20(19)32-2)21(28-10-6-3-7-11-28)22-25-26-27-29(22)16-8-4-5-9-16/h12-14,16,21H,3-11H2,1-2H3,(H,24,30)
InChIKeyQMJJTUBRFLGHKA-UHFFFAOYSA-N
XLogP3.22
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183501
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160665
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160597
3-[(S)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148524
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160470
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1375314
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 1375289
3-[(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3150463
7-[(R)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161088
3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144838
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144858
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144792

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 651127) is 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is QMJJTUBRFLGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-31-19-13-15-12-17(23(30)24-18(15)14-20(19)32-2)21(28-10-6-3-7-11-28)22-25-26-27-29(22)16-8-4-5-9-16/h12-14,16,21H,3-11H2,1-2H3,(H,24,30).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 651127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).