4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid

C14H16N4O3 — CID 21002705

IUPAC4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
SMILESCCc1ccc2ncnc(NC(CC(N)=O)C(=O)O)c2c1
InChIInChI=1S/C14H16N4O3/c1-2-8-3-4-10-9(5-8)13(17-7-16-10)18-11(14(20)21)6-12(15)19/h3-5,7,11H,2,6H2,1H3,(H2,15,19)(H,20,21)(H,16,17,18)
InChIKeyDNEMJNYQMFRNCI-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid

4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 21002705) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
PubChem CID21002705
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
SMILESCCc1ccc2ncnc(NC(CC(N)=O)C(=O)O)c2c1
InChIInChI=1S/C14H16N4O3/c1-2-8-3-4-10-9(5-8)13(17-7-16-10)18-11(14(20)21)6-12(15)19/h3-5,7,11H,2,6H2,1H3,(H2,15,19)(H,20,21)(H,16,17,18)
InChIKeyDNEMJNYQMFRNCI-UHFFFAOYSA-N
XLogP0.93
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
(2R)-2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid
CID 1414229
2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid;hydron;chloride
CID 655841
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449
N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide
CID 71908170
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid (CID 21002705) is 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid is CCc1ccc2ncnc(NC(CC(N)=O)C(=O)O)c2c1.
What is the InChIKey of 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is DNEMJNYQMFRNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-8-3-4-10-9(5-8)13(17-7-16-10)18-11(14(20)21)6-12(15)19/h3-5,7,11H,2,6H2,1H3,(H2,15,19)(H,20,21)(H,16,17,18).
What are the key properties of 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid?
4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 288.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 21002705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).