(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

C25H37N7O3+2 — CID 6972371

IUPAC(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCOc1ccc2cc(C[NH+](CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33)/p+2
InChIKeyGBEGRHZKIOTUJG-UHFFFAOYSA-P
MW483.62 g/mol
LogP-0.47
Rot. Bonds10

About (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium (PubChem CID 6972371) has the molecular formula C25H37N7O3+2 and a molecular weight of 483.62 g/mol. Its IUPAC name is (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium.

Molecular Properties

Compound Name(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
PubChem CID6972371
Molecular FormulaC25H37N7O3+2
Molecular Weight483.62 g/mol
Exact Mass483.29
IUPAC Name(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCOc1ccc2cc(C[NH+](CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33)/p+2
InChIKeyGBEGRHZKIOTUJG-UHFFFAOYSA-P
XLogP-0.47
TPSA103.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 654016
(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium
CID 6972374
3-[(R)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 6982821
(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
CID 7382731
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 6970121
(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107871
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 1375289
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171400
3-[[1,3-benzodioxol-5-ylmethyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1464789
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1375314

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium?
The IUPAC name of (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium (CID 6972371) is (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium.
What is the SMILES notation for (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium?
The canonical SMILES for (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium is COc1ccc2cc(C[NH+](CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium?
The InChIKey is GBEGRHZKIOTUJG-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H35N7O3/c1-34-22-8-7-19-15-20(25(33)26-23(19)16-22)17-31(10-4-9-30-11-13-35-14-12-30)18-24-27-28-29-32(24)21-5-2-3-6-21/h7-8,15-16,21H,2-6,9-14,17-18H2,1H3,(H,26,33)/p+2.
What are the key properties of (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium?
(1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium has a molecular weight of 483.62 g/mol, XLogP of -0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium is sourced from PubChem (CID 6972371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).