6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C21H26N6O3 — CID 646659

IUPAC6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCOCC3)cc2c1
InChIInChI=1S/C21H26N6O3/c1-14-4-5-18-15(11-14)12-17(21(28)22-18)19(26-6-9-29-10-7-26)20-23-24-25-27(20)13-16-3-2-8-30-16/h4-5,11-12,16,19H,2-3,6-10,13H2,1H3,(H,22,28)
InChIKeyLNBSTIIDUSLYJR-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.42
Rot. Bonds5

About 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 646659) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID646659
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCOCC3)cc2c1
InChIInChI=1S/C21H26N6O3/c1-14-4-5-18-15(11-14)12-17(21(28)22-18)19(26-6-9-29-10-7-26)20-23-24-25-27(20)13-16-3-2-8-30-16/h4-5,11-12,16,19H,2-3,6-10,13H2,1H3,(H,22,28)
InChIKeyLNBSTIIDUSLYJR-UHFFFAOYSA-N
XLogP1.42
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 646659) is 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCOCC3)cc2c1.
What is the InChIKey of 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is LNBSTIIDUSLYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-4-5-18-15(11-14)12-17(21(28)22-18)19(26-6-9-29-10-7-26)20-23-24-25-27(20)13-16-3-2-8-30-16/h4-5,11-12,16,19H,2-3,6-10,13H2,1H3,(H,22,28).
What are the key properties of 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 410.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[morpholin-4-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).