4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde

C20H19N3O — CID 142671331

IUPAC4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(N3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H19N3O/c24-13-15-6-7-19-18(12-15)20(22-14-21-19)23-10-8-17(9-11-23)16-4-2-1-3-5-16/h1-7,12-14,17H,8-11H2
InChIKeyHUROPKRFOLQAGS-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde

4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde (PubChem CID 142671331) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde
PubChem CID142671331
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(N3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H19N3O/c24-13-15-6-7-19-18(12-15)20(22-14-21-19)23-10-8-17(9-11-23)16-4-2-1-3-5-16/h1-7,12-14,17H,8-11H2
InChIKeyHUROPKRFOLQAGS-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
CID 57469649
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
4-phenylquinazoline-6-carbaldehyde
CID 57469642
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
1-(6-nitroquinazolin-4-yl)piperidine-4-carbaldehyde
CID 64588886
6-oxo-4-(4-phenylpiperidin-1-yl)-1H-pyrimidine-5-carbaldehyde
CID 136679117
5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
CID 71892028
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde?
The IUPAC name of 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde (CID 142671331) is 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde.
What is the SMILES notation for 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde?
The canonical SMILES for 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde is O=Cc1ccc2ncnc(N3CCC(c4ccccc4)CC3)c2c1.
What is the InChIKey of 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde?
The InChIKey is HUROPKRFOLQAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-13-15-6-7-19-18(12-15)20(22-14-21-19)23-10-8-17(9-11-23)16-4-2-1-3-5-16/h1-7,12-14,17H,8-11H2.
What are the key properties of 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde?
4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde has a molecular weight of 317.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde is sourced from PubChem (CID 142671331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).