(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate

C13H14N3O4- — CID 7174370

IUPAC(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
SMILESCOc1cc2ncnc(N[C@@H](C)C(=O)[O-])c2cc1OC
InChIInChI=1S/C13H15N3O4/c1-7(13(17)18)16-12-8-4-10(19-2)11(20-3)5-9(8)14-6-15-12/h4-7H,1-3H3,(H,17,18)(H,14,15,16)/p-1/t7-/m0/s1
InChIKeyWTZZYVPNXYUPIO-ZETCQYMHSA-M
MW276.27 g/mol
LogP0.20
Rot. Bonds5

About (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate

(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate (PubChem CID 7174370) has the molecular formula C13H14N3O4- and a molecular weight of 276.27 g/mol. Its IUPAC name is (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
PubChem CID7174370
Molecular FormulaC13H14N3O4-
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
SMILESCOc1cc2ncnc(N[C@@H](C)C(=O)[O-])c2cc1OC
InChIInChI=1S/C13H15N3O4/c1-7(13(17)18)16-12-8-4-10(19-2)11(20-3)5-9(8)14-6-15-12/h4-7H,1-3H3,(H,17,18)(H,14,15,16)/p-1/t7-/m0/s1
InChIKeyWTZZYVPNXYUPIO-ZETCQYMHSA-M
XLogP0.20
TPSA96.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate 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

2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993
4-[[(1R)-1-carboxylatoethyl]amino]quinazoline-7-carboxylate
CID 6984805
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
7-[7-methoxy-4-[1-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 66755705
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
ethyl 7-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 45141768
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate?
The IUPAC name of (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate (CID 7174370) is (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate.
What is the SMILES notation for (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate?
The canonical SMILES for (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate is COc1cc2ncnc(N[C@@H](C)C(=O)[O-])c2cc1OC.
What is the InChIKey of (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate?
The InChIKey is WTZZYVPNXYUPIO-ZETCQYMHSA-M. The full InChI is InChI=1S/C13H15N3O4/c1-7(13(17)18)16-12-8-4-10(19-2)11(20-3)5-9(8)14-6-15-12/h4-7H,1-3H3,(H,17,18)(H,14,15,16)/p-1/t7-/m0/s1.
What are the key properties of (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate?
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate has a molecular weight of 276.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate is sourced from PubChem (CID 7174370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).