(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C22H27N6O2+ — CID 6972298

IUPAC(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N6O2/c1-15-7-8-16-11-17(21(29)23-19(16)10-15)12-27(13-18-6-5-9-30-18)14-20-24-25-26-28(20)22(2,3)4/h5-11H,12-14H2,1-4H3,(H,23,29)/p+1
InChIKeyVLVIVVSFHYOAES-UHFFFAOYSA-O
MW407.50 g/mol
LogP1.96
Rot. Bonds6

About (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 6972298) has the molecular formula C22H27N6O2+ and a molecular weight of 407.50 g/mol. Its IUPAC name is (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Name(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID6972298
Molecular FormulaC22H27N6O2+
Molecular Weight407.50 g/mol
Exact Mass407.22
IUPAC Name(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N6O2/c1-15-7-8-16-11-17(21(29)23-19(16)10-15)12-27(13-18-6-5-9-30-18)14-20-24-25-26-28(20)22(2,3)4/h5-11H,12-14H2,1-4H3,(H,23,29)/p+1
InChIKeyVLVIVVSFHYOAES-UHFFFAOYSA-O
XLogP1.96
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972307
3-[[(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170562
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-(furan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1437070
3-[[furan-2-ylmethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464514
3-[(S)-(1-tert-butyltetrazol-5-yl)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 40612000
3-[(S)-(1-tert-butyltetrazol-5-yl)-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1074240
[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383230
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1437994
3-[[furan-2-ylmethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464052
3-[[furan-2-ylmethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171279
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 40588927
3-[[benzyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170556

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 6972298) is (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is VLVIVVSFHYOAES-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N6O2/c1-15-7-8-16-11-17(21(29)23-19(16)10-15)12-27(13-18-6-5-9-30-18)14-20-24-25-26-28(20)22(2,3)4/h5-11H,12-14H2,1-4H3,(H,23,29)/p+1.
What are the key properties of (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 407.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 6972298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).