1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C22H26N4O2S — CID 45177308

IUPAC1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)NCc4cccs4)C3)nc(C)c2c1
InChIInChI=1S/C22H26N4O2S/c1-3-28-17-8-9-20-19(12-17)15(2)24-22(25-20)26-10-4-6-16(14-26)21(27)23-13-18-7-5-11-29-18/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3,(H,23,27)
InChIKeyKSHNVJRFMJOHCO-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.93
Rot. Bonds6

About 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45177308) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45177308
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)NCc4cccs4)C3)nc(C)c2c1
InChIInChI=1S/C22H26N4O2S/c1-3-28-17-8-9-20-19(12-17)15(2)24-22(25-20)26-10-4-6-16(14-26)21(27)23-13-18-7-5-11-29-18/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3,(H,23,27)
InChIKeyKSHNVJRFMJOHCO-UHFFFAOYSA-N
XLogP3.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 45177308) is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is CCOc1ccc2nc(N3CCCC(C(=O)NCc4cccs4)C3)nc(C)c2c1.
What is the InChIKey of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KSHNVJRFMJOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-28-17-8-9-20-19(12-17)15(2)24-22(25-20)26-10-4-6-16(14-26)21(27)23-13-18-7-5-11-29-18/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3,(H,23,27).
What are the key properties of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45177308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).