methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate

C20H21N3O4 — CID 23255846

IUPACmethyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(Nn1c([C@H](C)O)nc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-13(24)17-21-16-12-8-7-11-15(16)18(25)23(17)22-20(2,19(26)27-3)14-9-5-4-6-10-14/h4-13,22,24H,1-3H3/t13-,20+/m0/s1
InChIKeyBPXYUCQFDZPIBT-RNODOKPDSA-N
MW367.41 g/mol
LogP2.08
Rot. Bonds5

About methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate

methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate (PubChem CID 23255846) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
PubChem CID23255846
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(Nn1c([C@H](C)O)nc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-13(24)17-21-16-12-8-7-11-15(16)18(25)23(17)22-20(2,19(26)27-3)14-9-5-4-6-10-14/h4-13,22,24H,1-3H3/t13-,20+/m0/s1
InChIKeyBPXYUCQFDZPIBT-RNODOKPDSA-N
XLogP2.08
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate with MolForge

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Related Compounds

(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
CID 164840749
CID 164840749
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
CID 23255841
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]quinazolin-4-one
CID 101064428
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)quinazolin-4-one
CID 104765099
3-(dimethylamino)-2-(1-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
CID 101016156
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide
CID 69075578
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate (CID 23255846) is methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate is COC(=O)[C@](C)(Nn1c([C@H](C)O)nc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate?
The InChIKey is BPXYUCQFDZPIBT-RNODOKPDSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(24)17-21-16-12-8-7-11-15(16)18(25)23(17)22-20(2,19(26)27-3)14-9-5-4-6-10-14/h4-13,22,24H,1-3H3/t13-,20+/m0/s1.
What are the key properties of methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate?
methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate has a molecular weight of 367.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate is sourced from PubChem (CID 23255846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).