4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid

C16H20N4O4 — CID 22707631

IUPAC4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OC
InChIInChI=1S/C16H20N4O4/c1-3-24-14-8-11-12(9-13(14)23-2)17-10-18-15(11)19-4-6-20(7-5-19)16(21)22/h8-10H,3-7H2,1-2H3,(H,21,22)
InChIKeyOJRDBJDXZLKWQT-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.84
Rot. Bonds4

About 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid

4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 22707631) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
PubChem CID22707631
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OC
InChIInChI=1S/C16H20N4O4/c1-3-24-14-8-11-12(9-13(14)23-2)17-10-18-15(11)19-4-6-20(7-5-19)16(21)22/h8-10H,3-7H2,1-2H3,(H,21,22)
InChIKeyOJRDBJDXZLKWQT-UHFFFAOYSA-N
XLogP1.84
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-[6-methoxy-7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 68636592
4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
CID 91313177

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid (CID 22707631) is 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid is CCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OC.
What is the InChIKey of 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is OJRDBJDXZLKWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-24-14-8-11-12(9-13(14)23-2)17-10-18-15(11)19-4-6-20(7-5-19)16(21)22/h8-10H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22707631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).