methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate

C19H19N3O3 — CID 75508856

IUPACmethyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H19N3O3/c1-19(24,17(23)25-2)12-20-18-21-15-11-7-6-10-14(15)16(22-18)13-8-4-3-5-9-13/h3-11,24H,12H2,1-2H3,(H,20,21,22)
InChIKeyFAAWLHUJDAMACO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate (PubChem CID 75508856) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
PubChem CID75508856
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H19N3O3/c1-19(24,17(23)25-2)12-20-18-21-15-11-7-6-10-14(15)16(22-18)13-8-4-3-5-9-13/h3-11,24H,12H2,1-2H3,(H,20,21,22)
InChIKeyFAAWLHUJDAMACO-UHFFFAOYSA-N
XLogP2.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate
CID 104643617
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine
CID 133325348
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
CID 86902802
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
butan-2-yl 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetate
CID 4729055
methyl 6-[4-(3-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoate
CID 11742392
3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione
CID 91642463
but-2-enedioic acid;N,N-dimethyl-2-(4-phenylquinazolin-2-yl)oxyethanamine
CID 70443174

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate (CID 75508856) is methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate is COC(=O)C(C)(O)CNc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate?
The InChIKey is FAAWLHUJDAMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-19(24,17(23)25-2)12-20-18-21-15-11-7-6-10-14(15)16(22-18)13-8-4-3-5-9-13/h3-11,24H,12H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate has a molecular weight of 337.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate is sourced from PubChem (CID 75508856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).