lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide

C21H20LiN4O5- — CID 156624331

IUPAClithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc([C-]=O)cn23)c(OC)c1.[Li+].[OH-]
InChIInChI=1S/C21H19N4O4.Li.H2O/c1-27-15-8-7-13(18(9-15)29-3)10-22-21-24-19-16(5-4-6-17(19)28-2)20-23-14(12-26)11-25(20)21;;/h4-9,11H,10H2,1-3H3,(H,22,24);;1H2/q-1;+1;/p-1
InChIKeyZWRDLJZZKNGQNF-UHFFFAOYSA-M
MW415.36 g/mol
LogP-0.19
Rot. Bonds7

About lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide

lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide (PubChem CID 156624331) has the molecular formula C21H20LiN4O5- and a molecular weight of 415.36 g/mol. Its IUPAC name is lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide.

Molecular Properties

Compound Namelithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide
PubChem CID156624331
Molecular FormulaC21H20LiN4O5-
Molecular Weight415.36 g/mol
Exact Mass415.16
IUPAC Namelithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc([C-]=O)cn23)c(OC)c1.[Li+].[OH-]
InChIInChI=1S/C21H19N4O4.Li.H2O/c1-27-15-8-7-13(18(9-15)29-3)10-22-21-24-19-16(5-4-6-17(19)28-2)20-23-14(12-26)11-25(20)21;;/h4-9,11H,10H2,1-3H3,(H,22,24);;1H2/q-1;+1;/p-1
InChIKeyZWRDLJZZKNGQNF-UHFFFAOYSA-M
XLogP-0.19
TPSA116.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169151089
2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 156902988
N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-[1-(2-methylbutan-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 137359981
2-[3-[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-2-methylpropanenitrile
CID 137360155
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-[(3R)-1-[1-(methylsulfanylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597576
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
tert-butyl N-[2-[6-[3-[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclopentyl]-3-pyridinyl]propan-2-yl]carbamate
CID 169151055
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597733
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide?
The IUPAC name of lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide (CID 156624331) is lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide.
What is the SMILES notation for lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide?
The canonical SMILES for lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide is COc1ccc(CNc2nc3c(OC)cccc3c3nc([C-]=O)cn23)c(OC)c1.[Li+].[OH-].
What is the InChIKey of lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide?
The InChIKey is ZWRDLJZZKNGQNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19N4O4.Li.H2O/c1-27-15-8-7-13(18(9-15)29-3)10-22-21-24-19-16(5-4-6-17(19)28-2)20-23-14(12-26)11-25(20)21;;/h4-9,11H,10H2,1-3H3,(H,22,24);;1H2/q-1;+1;/p-1.
What are the key properties of lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide?
lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide has a molecular weight of 415.36 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide is sourced from PubChem (CID 156624331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).