(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium

C22H33N6O3+ — CID 7383243

IUPAC(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
SMILESCOCCn1nnnc1[C@H](C(C)C)[NH+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C22H32N6O3/c1-14(2)20(21-24-25-26-28(21)7-9-31-5)27(6-8-29)13-18-12-17-10-15(3)16(4)11-19(17)23-22(18)30/h10-12,14,20,29H,6-9,13H2,1-5H3,(H,23,30)/p+1/t20-/m0/s1
InChIKeyIMNJKFFLEHFQIC-FQEVSTJZSA-O
MW429.55 g/mol
LogP0.55
Rot. Bonds10

About (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium

(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium (PubChem CID 7383243) has the molecular formula C22H33N6O3+ and a molecular weight of 429.55 g/mol. Its IUPAC name is (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium.

Molecular Properties

Compound Name(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
PubChem CID7383243
Molecular FormulaC22H33N6O3+
Molecular Weight429.55 g/mol
Exact Mass429.26
IUPAC Name(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
SMILESCOCCn1nnnc1[C@H](C(C)C)[NH+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C22H32N6O3/c1-14(2)20(21-24-25-26-28(21)7-9-31-5)27(6-8-29)13-18-12-17-10-15(3)16(4)11-19(17)23-22(18)30/h10-12,14,20,29H,6-9,13H2,1-5H3,(H,23,30)/p+1/t20-/m0/s1
InChIKeyIMNJKFFLEHFQIC-FQEVSTJZSA-O
XLogP0.55
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6985859
3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203277
[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383230
3-[[(4-fluorophenyl)methyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3199815
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 7130096
8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3203169
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213035
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213043
[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383314
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203499
3-[[3-hydroxypropyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213048
3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 124899676

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium?
The IUPAC name of (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium (CID 7383243) is (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium.
What is the SMILES notation for (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium?
The canonical SMILES for (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium is COCCn1nnnc1[C@H](C(C)C)[NH+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium?
The InChIKey is IMNJKFFLEHFQIC-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H32N6O3/c1-14(2)20(21-24-25-26-28(21)7-9-31-5)27(6-8-29)13-18-12-17-10-15(3)16(4)11-19(17)23-22(18)30/h10-12,14,20,29H,6-9,13H2,1-5H3,(H,23,30)/p+1/t20-/m0/s1.
What are the key properties of (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium?
(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium has a molecular weight of 429.55 g/mol, XLogP of 0.55, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium is sourced from PubChem (CID 7383243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).