4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid

C22H25N7O2 — CID 69263218

IUPAC4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncnc3cc(N4CCN(c5ncccn5)CC4)ccc23)CC1
InChIInChI=1S/C22H25N7O2/c30-22(31)29-8-4-16(5-9-29)20-18-3-2-17(14-19(18)25-15-26-20)27-10-12-28(13-11-27)21-23-6-1-7-24-21/h1-3,6-7,14-16H,4-5,8-13H2,(H,30,31)
InChIKeyPQXNTUYSZQCOEN-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.60
Rot. Bonds3

About 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid

4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid (PubChem CID 69263218) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
PubChem CID69263218
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncnc3cc(N4CCN(c5ncccn5)CC4)ccc23)CC1
InChIInChI=1S/C22H25N7O2/c30-22(31)29-8-4-16(5-9-29)20-18-3-2-17(14-19(18)25-15-26-20)27-10-12-28(13-11-27)21-23-6-1-7-24-21/h1-3,6-7,14-16H,4-5,8-13H2,(H,30,31)
InChIKeyPQXNTUYSZQCOEN-UHFFFAOYSA-N
XLogP2.60
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260554
benzyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxylate
CID 172508951
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260348
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770752
4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69261813
N-methyl-1-(4-piperidin-4-ylquinazolin-7-yl)piperidine-4-carboxamide
CID 59551743
4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260341
4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69259081
prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
CID 89011711
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 162748462
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid (CID 69263218) is 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncnc3cc(N4CCN(c5ncccn5)CC4)ccc23)CC1.
What is the InChIKey of 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is PQXNTUYSZQCOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c30-22(31)29-8-4-16(5-9-29)20-18-3-2-17(14-19(18)25-15-26-20)27-10-12-28(13-11-27)21-23-6-1-7-24-21/h1-3,6-7,14-16H,4-5,8-13H2,(H,30,31).
What are the key properties of 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid?
4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 419.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69263218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).