2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid

C16H20N4O3 — CID 137061337

IUPAC2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H20N4O3/c1-2-20(9-14(21)22)11-7-10(8-11)17-16-18-13-6-4-3-5-12(13)15(23)19-16/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,17,18,19,23)
InChIKeyLDNFIAYTZLOEHQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.27
Rot. Bonds6

About 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid (PubChem CID 137061337) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
PubChem CID137061337
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H20N4O3/c1-2-20(9-14(21)22)11-7-10(8-11)17-16-18-13-6-4-3-5-12(13)15(23)19-16/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,17,18,19,23)
InChIKeyLDNFIAYTZLOEHQ-UHFFFAOYSA-N
XLogP1.27
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 137270751
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794
2-[ethyl-[3-(2-methylsulfonylanilino)cyclobutyl]amino]acetic acid
CID 122062146
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
N-benzyl-N-ethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264386
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[[3-[(7-chloroquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061959
2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061609

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid (CID 137061337) is 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is LDNFIAYTZLOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20(9-14(21)22)11-7-10(8-11)17-16-18-13-6-4-3-5-12(13)15(23)19-16/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,17,18,19,23).
What are the key properties of 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 137061337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).