3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

C25H30N6O2 — CID 651642

IUPAC3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)C(c1cc2cc(C)cc(C)c2[nH]c1=O)c1nnnn1CCOC
InChIInChI=1S/C25H30N6O2/c1-5-30(16-19-9-7-6-8-10-19)23(24-27-28-29-31(24)11-12-33-4)21-15-20-14-17(2)13-18(3)22(20)26-25(21)32/h6-10,13-15,23H,5,11-12,16H2,1-4H3,(H,26,32)
InChIKeyJIYHNVAVCDXSOQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.39
Rot. Bonds9

About 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 651642) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID651642
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)C(c1cc2cc(C)cc(C)c2[nH]c1=O)c1nnnn1CCOC
InChIInChI=1S/C25H30N6O2/c1-5-30(16-19-9-7-6-8-10-19)23(24-27-28-29-31(24)11-12-33-4)21-15-20-14-17(2)13-18(3)22(20)26-25(21)32/h6-10,13-15,23H,5,11-12,16H2,1-4H3,(H,26,32)
InChIKeyJIYHNVAVCDXSOQ-UHFFFAOYSA-N
XLogP3.39
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 651642) is 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is CCN(Cc1ccccc1)C(c1cc2cc(C)cc(C)c2[nH]c1=O)c1nnnn1CCOC.
What is the InChIKey of 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is JIYHNVAVCDXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-5-30(16-19-9-7-6-8-10-19)23(24-27-28-29-31(24)11-12-33-4)21-15-20-14-17(2)13-18(3)22(20)26-25(21)32/h6-10,13-15,23H,5,11-12,16H2,1-4H3,(H,26,32).
What are the key properties of 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 446.56 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 651642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).