4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid

C21H22N4O4 — CID 22707591

IUPAC4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C21H22N4O4/c1-28-18-11-16-17(12-19(18)29-13-15-5-3-2-4-6-15)22-14-23-20(16)24-7-9-25(10-8-24)21(26)27/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,27)
InChIKeyXTRLPEGKXITQBZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.02
Rot. Bonds5

About 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid

4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 22707591) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
PubChem CID22707591
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C21H22N4O4/c1-28-18-11-16-17(12-19(18)29-13-15-5-3-2-4-6-15)22-14-23-20(16)24-7-9-25(10-8-24)21(26)27/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,27)
InChIKeyXTRLPEGKXITQBZ-UHFFFAOYSA-N
XLogP3.02
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
2-tert-butyl-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,4-diazepane-1-carboxylic acid
CID 166071289
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(6,7-dimethoxyquinazolin-4-yl)-N-phenacylpiperazine-1-carbothioamide
CID 22707566
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
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
N-benzyl-4-(6-methoxy-7-methylquinazolin-4-yl)piperazine-1-carbothioamide
CID 11350308
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid (CID 22707591) is 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid is COc1cc2c(N3CCN(C(=O)O)CC3)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is XTRLPEGKXITQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-18-11-16-17(12-19(18)29-13-15-5-3-2-4-6-15)22-14-23-20(16)24-7-9-25(10-8-24)21(26)27/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,27).
What are the key properties of 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid?
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22707591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).