3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one

C22H28N6O2 — CID 646526

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc12
InChIInChI=1S/C22H28N6O2/c1-14-7-8-15(2)19-17(14)13-18(22(29)23-19)20(27-9-11-30-12-10-27)21-24-25-26-28(21)16-5-3-4-6-16/h7-8,13,16,20H,3-6,9-12H2,1-2H3,(H,23,29)
InChIKeyLEUPEXIBHBVXLJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.67
Rot. Bonds4

About 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 646526) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID646526
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc12
InChIInChI=1S/C22H28N6O2/c1-14-7-8-15(2)19-17(14)13-18(22(29)23-19)20(27-9-11-30-12-10-27)21-24-25-26-28(21)16-5-3-4-6-16/h7-8,13,16,20H,3-6,9-12H2,1-2H3,(H,23,29)
InChIKeyLEUPEXIBHBVXLJ-UHFFFAOYSA-N
XLogP2.67
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one (CID 646526) is 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc12.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is LEUPEXIBHBVXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14-7-8-15(2)19-17(14)13-18(22(29)23-19)20(27-9-11-30-12-10-27)21-24-25-26-28(21)16-5-3-4-6-16/h7-8,13,16,20H,3-6,9-12H2,1-2H3,(H,23,29).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 408.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 646526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).