4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid

C21H29N5O3 — CID 69260554

IUPAC4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCOCCN1CCN(c2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1
InChIInChI=1S/C21H29N5O3/c1-29-13-12-24-8-10-25(11-9-24)17-2-3-18-19(14-17)22-15-23-20(18)16-4-6-26(7-5-16)21(27)28/h2-3,14-16H,4-13H2,1H3,(H,27,28)
InChIKeyYKUQPQYVIPBEQD-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.26
Rot. Bonds5

About 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid

4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid (PubChem CID 69260554) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
PubChem CID69260554
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCOCCN1CCN(c2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1
InChIInChI=1S/C21H29N5O3/c1-29-13-12-24-8-10-25(11-9-24)17-2-3-18-19(14-17)22-15-23-20(18)16-4-6-26(7-5-16)21(27)28/h2-3,14-16H,4-13H2,1H3,(H,27,28)
InChIKeyYKUQPQYVIPBEQD-UHFFFAOYSA-N
XLogP2.26
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69263218
4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69261813
prop-1-en-2-yl 4-[7-(azetidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
CID 89011794
4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770752
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260348
benzyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxylate
CID 172508951
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
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[7-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748701

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid (CID 69260554) is 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid is COCCN1CCN(c2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1.
What is the InChIKey of 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is YKUQPQYVIPBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-29-13-12-24-8-10-25(11-9-24)17-2-3-18-19(14-17)22-15-23-20(18)16-4-6-26(7-5-16)21(27)28/h2-3,14-16H,4-13H2,1H3,(H,27,28).
What are the key properties of 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid?
4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 399.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69260554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).