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

C16H19ClN4O2 — CID 122061959

IUPAC2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H19ClN4O2/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)
InChIKeyGEALYLAHXWCHKI-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.63
Rot. Bonds6

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

2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061959) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061959
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H19ClN4O2/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)
InChIKeyGEALYLAHXWCHKI-UHFFFAOYSA-N
XLogP2.63
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061609
2-[ethyl-[3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]amino]acetic acid
CID 122062007
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
2-[ethyl-[3-(furo[3,2-c]pyridin-4-ylamino)cyclobutyl]amino]acetic acid
CID 122061885
2-[[3-[(6,7-dichloroquinoxalin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061780
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296788
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061757
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061959) is 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2ncnc3cc(Cl)ccc23)C1.
What is the InChIKey of 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is GEALYLAHXWCHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/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-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 334.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).