2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride

C10H9BrClN3O2 — CID 18590558

IUPAC2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrN3O2.ClH/c11-6-1-2-8-7(3-6)10(14-5-13-8)12-4-9(15)16;/h1-3,5H,4H2,(H,15,16)(H,12,13,14);1H
InChIKeyFWYSFFZUPPAQCI-UHFFFAOYSA-N
MW318.56 g/mol
LogP2.31
Rot. Bonds3

About 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride

2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride (PubChem CID 18590558) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
PubChem CID18590558
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrN3O2.ClH/c11-6-1-2-8-7(3-6)10(14-5-13-8)12-4-9(15)16;/h1-3,5H,4H2,(H,15,16)(H,12,13,14);1H
InChIKeyFWYSFFZUPPAQCI-UHFFFAOYSA-N
XLogP2.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
methyl (2R)-3-[(6-bromoquinazolin-4-yl)amino]-2-phenylpropanoate
CID 96514664
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459
N-(6-bromoquinazolin-4-yl)prop-2-enamide
CID 151643900
6-bromo-N-[(1,1-dioxothietan-3-yl)methyl]quinazolin-4-amine
CID 154763470
1-[4-[2-[(6-bromoquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87021064
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride (CID 18590558) is 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride?
The InChIKey is FWYSFFZUPPAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2.ClH/c11-6-1-2-8-7(3-6)10(14-5-13-8)12-4-9(15)16;/h1-3,5H,4H2,(H,15,16)(H,12,13,14);1H.
What are the key properties of 2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride?
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride has a molecular weight of 318.56 g/mol, XLogP of 2.31, 3 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]acetic acid;hydrochloride is sourced from PubChem (CID 18590558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).