1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine

C21H26N4OS — CID 126464393

IUPAC1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESCOc1ccc2c(C)nc(N3CCC(NCCc4cccs4)CC3)nc2c1
InChIInChI=1S/C21H26N4OS/c1-15-19-6-5-17(26-2)14-20(19)24-21(23-15)25-11-8-16(9-12-25)22-10-7-18-4-3-13-27-18/h3-6,13-14,16,22H,7-12H2,1-2H3
InChIKeyIITXPGNOQHHKES-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.81
Rot. Bonds6

About 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine

1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine (PubChem CID 126464393) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
PubChem CID126464393
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESCOc1ccc2c(C)nc(N3CCC(NCCc4cccs4)CC3)nc2c1
InChIInChI=1S/C21H26N4OS/c1-15-19-6-5-17(26-2)14-20(19)24-21(23-15)25-11-8-16(9-12-25)22-10-7-18-4-3-13-27-18/h3-6,13-14,16,22H,7-12H2,1-2H3
InChIKeyIITXPGNOQHHKES-UHFFFAOYSA-N
XLogP3.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine (CID 126464393) is 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine is COc1ccc2c(C)nc(N3CCC(NCCc4cccs4)CC3)nc2c1.
What is the InChIKey of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The InChIKey is IITXPGNOQHHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15-19-6-5-17(26-2)14-20(19)24-21(23-15)25-11-8-16(9-12-25)22-10-7-18-4-3-13-27-18/h3-6,13-14,16,22H,7-12H2,1-2H3.
What are the key properties of 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine has a molecular weight of 382.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 126464393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).