dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

C26H27N2O+ — CID 3622129

IUPACdibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1[nH]c2c(C)cccc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H26N2O/c1-19-10-9-15-23-25(19)27-20(2)24(26(23)29)18-28(16-21-11-5-3-6-12-21)17-22-13-7-4-8-14-22/h3-15H,16-18H2,1-2H3,(H,27,29)/p+1
InChIKeyDMHFPFJJBUKCGQ-UHFFFAOYSA-O
MW383.52 g/mol
LogP3.93
Rot. Bonds6

About dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 3622129) has the molecular formula C26H27N2O+ and a molecular weight of 383.52 g/mol. Its IUPAC name is dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namedibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID3622129
Molecular FormulaC26H27N2O+
Molecular Weight383.52 g/mol
Exact Mass383.21
IUPAC Namedibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1[nH]c2c(C)cccc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H26N2O/c1-19-10-9-15-23-25(19)27-20(2)24(26(23)29)18-28(16-21-11-5-3-6-12-21)17-22-13-7-4-8-14-22/h3-15H,16-18H2,1-2H3,(H,27,29)/p+1
InChIKeyDMHFPFJJBUKCGQ-UHFFFAOYSA-O
XLogP3.93
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one
CID 99977848
2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84696464
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
2,8-dimethyl-3-[3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]butyl]-1H-quinolin-4-one
CID 137210284
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
2,3-dihydroxybutanedioic acid;2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 6612556
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
CID 130005740

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (CID 3622129) is dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1[nH]c2c(C)cccc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is DMHFPFJJBUKCGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H26N2O/c1-19-10-9-15-23-25(19)27-20(2)24(26(23)29)18-28(16-21-11-5-3-6-12-21)17-22-13-7-4-8-14-22/h3-15H,16-18H2,1-2H3,(H,27,29)/p+1.
What are the key properties of dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 383.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 3622129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).