4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid

C15H15BrN4O3 — CID 155267423

IUPAC4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCC(=O)c1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br
InChIInChI=1S/C15H15BrN4O3/c1-9(21)10-6-11-13(7-12(10)16)17-8-18-14(11)19-2-4-20(5-3-19)15(22)23/h6-8H,2-5H2,1H3,(H,22,23)
InChIKeyMKEJEGKZTYNLEH-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.39
Rot. Bonds2

About 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid

4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 155267423) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
PubChem CID155267423
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC Name4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCC(=O)c1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br
InChIInChI=1S/C15H15BrN4O3/c1-9(21)10-6-11-13(7-12(10)16)17-8-18-14(11)19-2-4-20(5-3-19)15(22)23/h6-8H,2-5H2,1H3,(H,22,23)
InChIKeyMKEJEGKZTYNLEH-UHFFFAOYSA-N
XLogP2.39
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
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
4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
CID 22707521
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid
CID 155267470
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 65336927
1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35756851
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid (CID 155267423) is 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid is CC(=O)c1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1Br.
What is the InChIKey of 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is MKEJEGKZTYNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-9(21)10-6-11-13(7-12(10)16)17-8-18-14(11)19-2-4-20(5-3-19)15(22)23/h6-8H,2-5H2,1H3,(H,22,23).
What are the key properties of 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid?
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 379.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 155267423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).