(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium

C23H33N6O2+ — CID 7382731

IUPAC(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
SMILESCc1cc(C)c2[nH]c(=O)c(C[NH+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1
InChIInChI=1S/C23H32N6O2/c1-16-11-17(2)22-18(12-16)13-19(23(31)24-22)14-28(9-6-10-30)15-21-25-26-27-29(21)20-7-4-3-5-8-20/h11-13,20,30H,3-10,14-15H2,1-2H3,(H,24,31)/p+1
InChIKeyGECMCCKRVPMQIV-UHFFFAOYSA-O
MW425.56 g/mol
LogP1.60
Rot. Bonds8

About (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium

(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium (PubChem CID 7382731) has the molecular formula C23H33N6O2+ and a molecular weight of 425.56 g/mol. Its IUPAC name is (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium.

Molecular Properties

Compound Name(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
PubChem CID7382731
Molecular FormulaC23H33N6O2+
Molecular Weight425.56 g/mol
Exact Mass425.27
IUPAC Name(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
SMILESCc1cc(C)c2[nH]c(=O)c(C[NH+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1
InChIInChI=1S/C23H32N6O2/c1-16-11-17(2)22-18(12-16)13-19(23(31)24-22)14-28(9-6-10-30)15-21-25-26-27-29(21)20-7-4-3-5-8-20/h11-13,20,30H,3-10,14-15H2,1-2H3,(H,24,31)/p+1
InChIKeyGECMCCKRVPMQIV-UHFFFAOYSA-O
XLogP1.60
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium
CID 7382741
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200443
3-[[[1-(1-cyclopentyltetrazol-5-yl)cyclohexyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23997285
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171093
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171104
cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972338
3-[[3-hydroxypropyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 7384340
(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972307
3-[(S)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603314
3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603412
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899727
3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204728

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium?
The IUPAC name of (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium (CID 7382731) is (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium.
What is the SMILES notation for (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium?
The canonical SMILES for (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium is Cc1cc(C)c2[nH]c(=O)c(C[NH+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1.
What is the InChIKey of (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium?
The InChIKey is GECMCCKRVPMQIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32N6O2/c1-16-11-17(2)22-18(12-16)13-19(23(31)24-22)14-28(9-6-10-30)15-21-25-26-27-29(21)20-7-4-3-5-8-20/h11-13,20,30H,3-10,14-15H2,1-2H3,(H,24,31)/p+1.
What are the key properties of (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium?
(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium has a molecular weight of 425.56 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium is sourced from PubChem (CID 7382731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).