4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline

C19H21N3OS — CID 133274262

IUPAC4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline
SMILESCCOC1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1
InChIInChI=1S/C19H21N3OS/c1-2-23-14-7-5-11-22(13-14)19-15-8-3-4-9-16(15)20-18(21-19)17-10-6-12-24-17/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3
InChIKeyLZWMECUPSIVPEQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.36
Rot. Bonds4

About 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline

4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline (PubChem CID 133274262) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline
PubChem CID133274262
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline
SMILESCCOC1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1
InChIInChI=1S/C19H21N3OS/c1-2-23-14-7-5-11-22(13-14)19-15-8-3-4-9-16(15)20-18(21-19)17-10-6-12-24-17/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3
InChIKeyLZWMECUPSIVPEQ-UHFFFAOYSA-N
XLogP4.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline (CID 133274262) is 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline is CCOC1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline?
The InChIKey is LZWMECUPSIVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-23-14-7-5-11-22(13-14)19-15-8-3-4-9-16(15)20-18(21-19)17-10-6-12-24-17/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline?
4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline has a molecular weight of 339.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 133274262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).