2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid

C16H19BrN4O2 — CID 122061609

IUPAC2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ncnc3cc(Br)ccc23)C1
InChIInChI=1S/C16H19BrN4O2/c1-2-21(8-15(22)23)12-6-11(7-12)20-16-13-4-3-10(17)5-14(13)18-9-19-16/h3-5,9,11-12H,2,6-8H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyGAVAMIBBQXSAQW-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.74
Rot. Bonds6

About 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061609) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061609
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ncnc3cc(Br)ccc23)C1
InChIInChI=1S/C16H19BrN4O2/c1-2-21(8-15(22)23)12-6-11(7-12)20-16-13-4-3-10(17)5-14(13)18-9-19-16/h3-5,9,11-12H,2,6-8H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyGAVAMIBBQXSAQW-UHFFFAOYSA-N
XLogP2.74
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061959
2-[ethyl-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122062007
2-[ethyl-[3-(furo[3,2-c]pyridin-4-ylamino)cyclobutyl]amino]acetic acid
CID 122061885
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[[3-[[3-(3-bromophenyl)cyclobutyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042438
2-[[3-[(5-bromo-2-methoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042399
2-[[3-[(5-bromo-2-propoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042577
2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[[3-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061517
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061609) is 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2ncnc3cc(Br)ccc23)C1.
What is the InChIKey of 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is GAVAMIBBQXSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-2-21(8-15(22)23)12-6-11(7-12)20-16-13-4-3-10(17)5-14(13)18-9-19-16/h3-5,9,11-12H,2,6-8H2,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 379.26 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).