2-[(6-bromoquinazolin-4-yl)amino]butanoic acid

C12H12BrN3O2 — CID 2787397

IUPAC2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O
InChIInChI=1S/C12H12BrN3O2/c1-2-9(12(17)18)16-11-8-5-7(13)3-4-10(8)14-6-15-11/h3-6,9H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyIKTCHSRDTGMGQE-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.67
Rot. Bonds4

About 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid

2-[(6-bromoquinazolin-4-yl)amino]butanoic acid (PubChem CID 2787397) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
PubChem CID2787397
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O
InChIInChI=1S/C12H12BrN3O2/c1-2-9(12(17)18)16-11-8-5-7(13)3-4-10(8)14-6-15-11/h3-6,9H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyIKTCHSRDTGMGQE-UHFFFAOYSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid 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-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid;hydron;chloride
CID 655841
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 163215892
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
CID 21003137
4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002705
(6-bromoquinazolin-4-yl)-(1-carboxypropyl)azanium
CID 3957071
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid (CID 2787397) is 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid is CCC(Nc1ncnc2ccc(Br)cc12)C(=O)O.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid?
The InChIKey is IKTCHSRDTGMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-2-9(12(17)18)16-11-8-5-7(13)3-4-10(8)14-6-15-11/h3-6,9H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid?
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid has a molecular weight of 310.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinazolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 2787397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).