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

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

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Related Compounds

3-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 644766
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
7-[[furan-2-ylmethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 645377
3-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-phenethyl-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645429
3-{Azepan-1-yl-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645819
3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 645974
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646225
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 646349
3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647557
6-Ethoxy-3-[(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-(3-methyl-piperidin-1-yl)-methyl]-1H-quinolin-2-one
CID 647948
3-({Furan-2-ylmethyl-[2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 649371

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).