lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride

C23H27LiN2O5 — CID 173233745

IUPAClithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride
SMILESCCOC(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C23H26N2O5.Li.H/c1-3-21-24-19-8-6-5-7-18(19)22(26)25(21)13-14-30-17-11-9-16(10-12-17)15-20(23(27)28)29-4-2;;/h5-12,20H,3-4,13-15H2,1-2H3,(H,27,28);;/q;+1;-1
InChIKeyZVOZYFBQKJMETE-UHFFFAOYSA-N
MW418.42 g/mol
LogP0.19
Rot. Bonds10

About lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride

lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride (PubChem CID 173233745) has the molecular formula C23H27LiN2O5 and a molecular weight of 418.42 g/mol. Its IUPAC name is lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride.

Molecular Properties

Compound Namelithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride
PubChem CID173233745
Molecular FormulaC23H27LiN2O5
Molecular Weight418.42 g/mol
Exact Mass418.21
IUPAC Namelithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride
SMILESCCOC(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C23H26N2O5.Li.H/c1-3-21-24-19-8-6-5-7-18(19)22(26)25(21)13-14-30-17-11-9-16(10-12-17)15-20(23(27)28)29-4-2;;/h5-12,20H,3-4,13-15H2,1-2H3,(H,27,28);;/q;+1;-1
InChIKeyZVOZYFBQKJMETE-UHFFFAOYSA-N
XLogP0.19
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;1-phenylethanamine
CID 10208751
(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid
CID 10184970
ethyl 3-[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]-2-phenoxypropanoate
CID 54415396
(2S)-3-[4-(3-carbazol-9-ylpropoxy)phenyl]-2-ethoxypropanoic acid
CID 70120871
(2S)-2-ethoxy-3-[4-[2-(2-ethyl-5-phenylpyrrol-1-yl)ethoxy]phenyl]propanoic acid
CID 58632295
2-ethoxy-3-[4-[2-(4-methyl-6-oxo-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoic acid
CID 22137684
lithium (2R)-2-ethoxy-3-[4-[2-(5-ethyl-1-methyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]propanoate
CID 23708961
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
3-[4-[2-(5-ethyl-1-methyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxypropanoic acid
CID 18431502
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
2-methoxy-3-[4-[2-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethoxy]phenyl]propanoic acid
CID 22742957

Frequently Asked Questions

What is the IUPAC name of lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride?
The IUPAC name of lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride (CID 173233745) is lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride.
What is the SMILES notation for lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride?
The canonical SMILES for lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride is CCOC(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride?
The InChIKey is ZVOZYFBQKJMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5.Li.H/c1-3-21-24-19-8-6-5-7-18(19)22(26)25(21)13-14-30-17-11-9-16(10-12-17)15-20(23(27)28)29-4-2;;/h5-12,20H,3-4,13-15H2,1-2H3,(H,27,28);;/q;+1;-1.
What are the key properties of lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride?
lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride has a molecular weight of 418.42 g/mol, XLogP of 0.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride is sourced from PubChem (CID 173233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).