(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid

C25H29N3O6 — CID 10184970

IUPAC(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OCCn2c(N3CCOCC3)nc3ccccc3c2=O)cc1)C(=O)O
InChIInChI=1S/C25H29N3O6/c1-2-33-22(24(30)31)17-18-7-9-19(10-8-18)34-16-13-28-23(29)20-5-3-4-6-21(20)26-25(28)27-11-14-32-15-12-27/h3-10,22H,2,11-17H2,1H3,(H,30,31)/t22-/m1/s1
InChIKeyCDFSNNMMMGQKPS-JOCHJYFZSA-N
MW467.52 g/mol
LogP2.34
Rot. Bonds10

About (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid

(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid (PubChem CID 10184970) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid
PubChem CID10184970
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OCCn2c(N3CCOCC3)nc3ccccc3c2=O)cc1)C(=O)O
InChIInChI=1S/C25H29N3O6/c1-2-33-22(24(30)31)17-18-7-9-19(10-8-18)34-16-13-28-23(29)20-5-3-4-6-21(20)26-25(28)27-11-14-32-15-12-27/h3-10,22H,2,11-17H2,1H3,(H,30,31)/t22-/m1/s1
InChIKeyCDFSNNMMMGQKPS-JOCHJYFZSA-N
XLogP2.34
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid with MolForge

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Related Compounds

lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride
CID 173233745
(2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;1-phenylethanamine
CID 10208751
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
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-[4-[2-(4-methyl-6-oxo-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoic acid
CID 22137684
3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid;1-phenylethanamine
CID 10209861
(2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid;1-phenylethanamine
CID 10120466
calcium (2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 10227805
4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
CID 122190766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid (CID 10184970) is (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid is CCO[C@H](Cc1ccc(OCCn2c(N3CCOCC3)nc3ccccc3c2=O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is CDFSNNMMMGQKPS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-2-33-22(24(30)31)17-18-7-9-19(10-8-18)34-16-13-28-23(29)20-5-3-4-6-21(20)26-25(28)27-11-14-32-15-12-27/h3-10,22H,2,11-17H2,1H3,(H,30,31)/t22-/m1/s1.
What are the key properties of (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid?
(2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 467.52 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-[4-[2-(2-morpholin-4-yl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).