4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid

C20H26N4O3 — CID 69260348

IUPAC4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCN1CCC(Oc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1
InChIInChI=1S/C20H26N4O3/c1-23-8-6-15(7-9-23)27-16-2-3-17-18(12-16)21-13-22-19(17)14-4-10-24(11-5-14)20(25)26/h2-3,12-15H,4-11H2,1H3,(H,25,26)
InChIKeyHRRJVQUWJJVLFU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds3

About 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid

4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid (PubChem CID 69260348) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
PubChem CID69260348
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCN1CCC(Oc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1
InChIInChI=1S/C20H26N4O3/c1-23-8-6-15(7-9-23)27-16-2-3-17-18(12-16)21-13-22-19(17)14-4-10-24(11-5-14)20(25)26/h2-3,12-15H,4-11H2,1H3,(H,25,26)
InChIKeyHRRJVQUWJJVLFU-UHFFFAOYSA-N
XLogP2.96
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69261813
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
4-(4-chloroquinolin-7-yl)oxypiperidine-1-carboxylic acid
CID 174166454
4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260554
4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69263218
(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
CID 90731692
4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 58770835
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
4-(4-chloroquinolin-6-yl)oxypiperidine-1-carboxylic acid
CID 121318195
4-(7-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 58770635
[4-(7-methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466461

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid (CID 69260348) is 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid is CN1CCC(Oc2ccc3c(C4CCN(C(=O)O)CC4)ncnc3c2)CC1.
What is the InChIKey of 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is HRRJVQUWJJVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-8-6-15(7-9-23)27-16-2-3-17-18(12-16)21-13-22-19(17)14-4-10-24(11-5-14)20(25)26/h2-3,12-15H,4-11H2,1H3,(H,25,26).
What are the key properties of 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid?
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69260348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).