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

C14H15BrN4O3 — CID 155267479

IUPAC4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br
InChIInChI=1S/C14H15BrN4O3/c1-22-12-6-9-11(7-10(12)15)16-8-17-13(9)18-2-4-19(5-3-18)14(20)21/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyKFBZOLHLIQPVBS-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.20
Rot. Bonds2

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

4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 155267479) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
PubChem CID155267479
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br
InChIInChI=1S/C14H15BrN4O3/c1-22-12-6-9-11(7-10(12)15)16-8-17-13(9)18-2-4-19(5-3-18)14(20)21/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyKFBZOLHLIQPVBS-UHFFFAOYSA-N
XLogP2.20
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267423
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
4-[6-methoxy-7-(3-piperidin-3-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 68636592
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid (CID 155267479) is 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid is COc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br.
What is the InChIKey of 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is KFBZOLHLIQPVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c1-22-12-6-9-11(7-10(12)15)16-8-17-13(9)18-2-4-19(5-3-18)14(20)21/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 155267479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).