4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid

C16H18N6O3 — CID 22707521

IUPAC4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc3c(N4CCN(C(=O)O)CC4)ncnc3cc21
InChIInChI=1S/C16H18N6O3/c1-2-22-13-8-11-10(7-12(13)19-15(22)23)14(18-9-17-11)20-3-5-21(6-4-20)16(24)25/h7-9H,2-6H2,1H3,(H,19,23)(H,24,25)
InChIKeyRJIXGYICCZFLAY-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.09
Rot. Bonds2

About 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid

4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid (PubChem CID 22707521) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
PubChem CID22707521
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc3c(N4CCN(C(=O)O)CC4)ncnc3cc21
InChIInChI=1S/C16H18N6O3/c1-2-22-13-8-11-10(7-12(13)19-15(22)23)14(18-9-17-11)20-3-5-21(6-4-20)16(24)25/h7-9H,2-6H2,1H3,(H,19,23)(H,24,25)
InChIKeyRJIXGYICCZFLAY-UHFFFAOYSA-N
XLogP1.09
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921938
3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921780
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
8-(4-benzylpiperidin-1-yl)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921827
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267423
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921903
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
CID 139785963
4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11353568

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid (CID 22707521) is 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid is CCn1c(=O)[nH]c2cc3c(N4CCN(C(=O)O)CC4)ncnc3cc21.
What is the InChIKey of 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid?
The InChIKey is RJIXGYICCZFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-2-22-13-8-11-10(7-12(13)19-15(22)23)14(18-9-17-11)20-3-5-21(6-4-20)16(24)25/h7-9H,2-6H2,1H3,(H,19,23)(H,24,25).
What are the key properties of 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid?
4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22707521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).