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

C23H27N6O2+ — CID 6972307

IUPAC(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N6O2/c1-16-8-9-17-12-18(23(30)24-21(17)11-16)13-28(14-20-7-4-10-31-20)15-22-25-26-27-29(22)19-5-2-3-6-19/h4,7-12,19H,2-3,5-6,13-15H2,1H3,(H,24,30)/p+1
InChIKeyFIGHJMUJORVWHT-UHFFFAOYSA-O
MW419.51 g/mol
LogP2.32
Rot. Bonds7

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

(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 6972307) has the molecular formula C23H27N6O2+ and a molecular weight of 419.51 g/mol. Its IUPAC name is (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Name(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID6972307
Molecular FormulaC23H27N6O2+
Molecular Weight419.51 g/mol
Exact Mass419.22
IUPAC Name(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N6O2/c1-16-8-9-17-12-18(23(30)24-21(17)11-16)13-28(14-20-7-4-10-31-20)15-22-25-26-27-29(22)19-5-2-3-6-19/h4,7-12,19H,2-3,5-6,13-15H2,1H3,(H,24,30)/p+1
InChIKeyFIGHJMUJORVWHT-UHFFFAOYSA-O
XLogP2.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-tert-butyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972298
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 654016
3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170793
(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 6972371
7-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465365
(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium
CID 7140935
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170879
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171706
3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199337
(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
CID 7382731
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 3203525
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171210

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 6972307) is (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2cc(C[NH+](Cc3ccco3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is FIGHJMUJORVWHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N6O2/c1-16-8-9-17-12-18(23(30)24-21(17)11-16)13-28(14-20-7-4-10-31-20)15-22-25-26-27-29(22)19-5-2-3-6-19/h4,7-12,19H,2-3,5-6,13-15H2,1H3,(H,24,30)/p+1.
What are the key properties of (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 419.51 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 6972307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).