3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

C25H26N6O3S — CID 649438

IUPAC3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C25H26N6O3S/c1-17-7-8-18-14-21(25(32)26-22(18)13-17)23(24-27-28-29-31(24)9-11-33-2)30(15-19-5-3-10-34-19)16-20-6-4-12-35-20/h3-8,10,12-14,23H,9,11,15-16H2,1-2H3,(H,26,32)
InChIKeyVAFAMONLBOOCII-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.92
Rot. Bonds10

About 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 649438) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID649438
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C25H26N6O3S/c1-17-7-8-18-14-21(25(32)26-22(18)13-17)23(24-27-28-29-31(24)9-11-33-2)30(15-19-5-3-10-34-19)16-20-6-4-12-35-20/h3-8,10,12-14,23H,9,11,15-16H2,1-2H3,(H,26,32)
InChIKeyVAFAMONLBOOCII-UHFFFAOYSA-N
XLogP3.92
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 649438) is 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is COCCn1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is VAFAMONLBOOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-17-7-8-18-14-21(25(32)26-22(18)13-17)23(24-27-28-29-31(24)9-11-33-2)30(15-19-5-3-10-34-19)16-20-6-4-12-35-20/h3-8,10,12-14,23H,9,11,15-16H2,1-2H3,(H,26,32).
What are the key properties of 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one?
3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 490.59 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 649438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).