[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium

C22H31N6O+ — CID 6970804

IUPAC[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+](CC)CC)cc2c1
InChIInChI=1S/C22H30N6O/c1-4-15-11-12-19-16(13-15)14-18(22(29)23-19)20(27(5-2)6-3)21-24-25-26-28(21)17-9-7-8-10-17/h11-14,17,20H,4-10H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1
InChIKeyBLJFNZSBZWMBPV-HXUWFJFHSA-O
MW395.53 g/mol
LogP2.21
Rot. Bonds7

About [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium

[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium (PubChem CID 6970804) has the molecular formula C22H31N6O+ and a molecular weight of 395.53 g/mol. Its IUPAC name is [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium.

Molecular Properties

Compound Name[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium
PubChem CID6970804
Molecular FormulaC22H31N6O+
Molecular Weight395.53 g/mol
Exact Mass395.26
IUPAC Name[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+](CC)CC)cc2c1
InChIInChI=1S/C22H30N6O/c1-4-15-11-12-19-16(13-15)14-18(22(29)23-19)20(27(5-2)6-3)21-24-25-26-28(21)17-9-7-8-10-17/h11-14,17,20H,4-10H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1
InChIKeyBLJFNZSBZWMBPV-HXUWFJFHSA-O
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3176600
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1375347
3-[(R)-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 28606495
3-[(S)-(4-benzhydrylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 92763961
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 25305759
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40586957
3-[(R)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 1148267
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148171
3-[(S)-[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 28606535
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3187127
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-cyclopentylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3203460
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148203

Frequently Asked Questions

What is the IUPAC name of [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium?
The IUPAC name of [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium (CID 6970804) is [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium.
What is the SMILES notation for [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium?
The canonical SMILES for [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium is CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+](CC)CC)cc2c1.
What is the InChIKey of [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium?
The InChIKey is BLJFNZSBZWMBPV-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H30N6O/c1-4-15-11-12-19-16(13-15)14-18(22(29)23-19)20(27(5-2)6-3)21-24-25-26-28(21)17-9-7-8-10-17/h11-14,17,20H,4-10H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1.
What are the key properties of [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium?
[(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium has a molecular weight of 395.53 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-diethylazanium is sourced from PubChem (CID 6970804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).