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

C23H30N6O — CID 3175119

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-10-20-17(12-15)13-19(23(30)24-20)21(28-11-5-6-16(2)14-28)22-25-26-27-29(22)18-7-3-4-8-18/h9-10,12-13,16,18,21H,3-8,11,14H2,1-2H3,(H,24,30)
InChIKeyUKRJEPMGWHXYOU-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.76
Rot. Bonds4

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

3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3175119) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3175119
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-10-20-17(12-15)13-19(23(30)24-20)21(28-11-5-6-16(2)14-28)22-25-26-27-29(22)18-7-3-4-8-18/h9-10,12-13,16,18,21H,3-8,11,14H2,1-2H3,(H,24,30)
InChIKeyUKRJEPMGWHXYOU-UHFFFAOYSA-N
XLogP3.76
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 3175119) is 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCCC(C)C3)cc2c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is UKRJEPMGWHXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15-9-10-20-17(12-15)13-19(23(30)24-20)21(28-11-5-6-16(2)14-28)22-25-26-27-29(22)18-7-3-4-8-18/h9-10,12-13,16,18,21H,3-8,11,14H2,1-2H3,(H,24,30).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3175119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).