5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

C25H35N7O3 — CID 652115

IUPAC5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)cc12
InChIInChI=1S/C25H35N7O3/c1-18-5-6-19(2)24-22(18)14-20(25(33)26-24)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-21-4-3-11-35-21/h5-6,14,21H,3-4,7-13,15-17H2,1-2H3,(H,26,33)
InChIKeyGJBJWCCFUAKSBU-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.64
Rot. Bonds9

About 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 652115) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID652115
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)cc12
InChIInChI=1S/C25H35N7O3/c1-18-5-6-19(2)24-22(18)14-20(25(33)26-24)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-21-4-3-11-35-21/h5-6,14,21H,3-4,7-13,15-17H2,1-2H3,(H,26,33)
InChIKeyGJBJWCCFUAKSBU-UHFFFAOYSA-N
XLogP1.64
TPSA101.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 652115) is 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)cc12.
What is the InChIKey of 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GJBJWCCFUAKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-18-5-6-19(2)24-22(18)14-20(25(33)26-24)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-21-4-3-11-35-21/h5-6,14,21H,3-4,7-13,15-17H2,1-2H3,(H,26,33).
What are the key properties of 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 481.60 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 652115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).