1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

C20H24N4OS — CID 126465178

IUPAC1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCOc1ccc2nc(N3CCC(NCc4cccs4)CC3)nc(C)c2c1
InChIInChI=1S/C20H24N4OS/c1-14-18-12-16(25-2)5-6-19(18)23-20(22-14)24-9-7-15(8-10-24)21-13-17-4-3-11-26-17/h3-6,11-12,15,21H,7-10,13H2,1-2H3
InChIKeyUDARBAIOTBISCC-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.77
Rot. Bonds5

About 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 126465178) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID126465178
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCOc1ccc2nc(N3CCC(NCc4cccs4)CC3)nc(C)c2c1
InChIInChI=1S/C20H24N4OS/c1-14-18-12-16(25-2)5-6-19(18)23-20(22-14)24-9-7-15(8-10-24)21-13-17-4-3-11-26-17/h3-6,11-12,15,21H,7-10,13H2,1-2H3
InChIKeyUDARBAIOTBISCC-UHFFFAOYSA-N
XLogP3.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 126465178) is 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is COc1ccc2nc(N3CCC(NCc4cccs4)CC3)nc(C)c2c1.
What is the InChIKey of 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is UDARBAIOTBISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-18-12-16(25-2)5-6-19(18)23-20(22-14)24-9-7-15(8-10-24)21-13-17-4-3-11-26-17/h3-6,11-12,15,21H,7-10,13H2,1-2H3.
What are the key properties of 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 126465178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).