3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one

C26H34N6O3 — CID 650906

IUPAC3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C26H34N6O3/c1-6-9-23(24-28-29-30-32(24)26(3,4)7-2)31(17-21-10-8-13-35-21)16-19-14-18-11-12-20(34-5)15-22(18)27-25(19)33/h8,10-15,23H,6-7,9,16-17H2,1-5H3,(H,27,33)
InChIKeyMYLUDHMSFZETLX-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.80
Rot. Bonds11

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

3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 650906) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID650906
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C26H34N6O3/c1-6-9-23(24-28-29-30-32(24)26(3,4)7-2)31(17-21-10-8-13-35-21)16-19-14-18-11-12-20(34-5)15-22(18)27-25(19)33/h8,10-15,23H,6-7,9,16-17H2,1-5H3,(H,27,33)
InChIKeyMYLUDHMSFZETLX-UHFFFAOYSA-N
XLogP4.80
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 650906) is 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is CCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is MYLUDHMSFZETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-6-9-23(24-28-29-30-32(24)26(3,4)7-2)31(17-21-10-8-13-35-21)16-19-14-18-11-12-20(34-5)15-22(18)27-25(19)33/h8,10-15,23H,6-7,9,16-17H2,1-5H3,(H,27,33).
What are the key properties of 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 478.60 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-ylmethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).