2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde

C23H25N3O3 — CID 171646068

IUPAC2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde
SMILESCc1cc(CC=O)ccc1Oc1ncnc2ccc(OC3CCN(C)CC3)cc12
InChIInChI=1S/C23H25N3O3/c1-16-13-17(9-12-27)3-6-22(16)29-23-20-14-19(4-5-21(20)24-15-25-23)28-18-7-10-26(2)11-8-18/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyLIODEIAMPDZVLB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.94
Rot. Bonds6

About 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde

2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde (PubChem CID 171646068) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde
PubChem CID171646068
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde
SMILESCc1cc(CC=O)ccc1Oc1ncnc2ccc(OC3CCN(C)CC3)cc12
InChIInChI=1S/C23H25N3O3/c1-16-13-17(9-12-27)3-6-22(16)29-23-20-14-19(4-5-21(20)24-15-25-23)28-18-7-10-26(2)11-8-18/h3-6,12-15,18H,7-11H2,1-2H3
InChIKeyLIODEIAMPDZVLB-UHFFFAOYSA-N
XLogP3.94
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-amino-3-tert-butyliminoprop-1-en-2-yl]-2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetamide
CID 171645387
N-(1-tert-butylpyrazol-4-yl)-2-[3-chloro-4-[6-(1-ethylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetamide
CID 171646183
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260348
6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
CID 141109073
2-[2-[4-(2-cyclopropylethoxy)-2-methylphenoxy]quinolin-6-yl]acetaldehyde
CID 87564012
7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68955817
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
2-methyl-4-(1-methylpiperidin-4-yl)oxypyridine
CID 70213870
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N-(1-tert-butylpyrazol-4-yl)-2-[4-(6-cyclobutyloxyquinolin-4-yl)oxy-3-methylphenyl]acetamide
CID 171645441
6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde?
The IUPAC name of 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde (CID 171646068) is 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde.
What is the SMILES notation for 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde?
The canonical SMILES for 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde is Cc1cc(CC=O)ccc1Oc1ncnc2ccc(OC3CCN(C)CC3)cc12.
What is the InChIKey of 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde?
The InChIKey is LIODEIAMPDZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-13-17(9-12-27)3-6-22(16)29-23-20-14-19(4-5-21(20)24-15-25-23)28-18-7-10-26(2)11-8-18/h3-6,12-15,18H,7-11H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde?
2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde has a molecular weight of 391.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[6-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]oxyphenyl]acetaldehyde is sourced from PubChem (CID 171646068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).