2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

C20H24N4S — CID 91963859

IUPAC2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESCC1CCCN(c2nc(NCCc3cccs3)c3ccccc3n2)C1
InChIInChI=1S/C20H24N4S/c1-15-6-4-12-24(14-15)20-22-18-9-3-2-8-17(18)19(23-20)21-11-10-16-7-5-13-25-16/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,22,23)
InChIKeyJZRQNVFEQDCXBB-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.58
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (PubChem CID 91963859) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
PubChem CID91963859
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESCC1CCCN(c2nc(NCCc3cccs3)c3ccccc3n2)C1
InChIInChI=1S/C20H24N4S/c1-15-6-4-12-24(14-15)20-22-18-9-3-2-8-17(18)19(23-20)21-11-10-16-7-5-13-25-16/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,22,23)
InChIKeyJZRQNVFEQDCXBB-UHFFFAOYSA-N
XLogP4.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 56699064
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 71690736
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963850
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (CID 91963859) is 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is CC1CCCN(c2nc(NCCc3cccs3)c3ccccc3n2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The InChIKey is JZRQNVFEQDCXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-15-6-4-12-24(14-15)20-22-18-9-3-2-8-17(18)19(23-20)21-11-10-16-7-5-13-25-16/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,22,23).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine has a molecular weight of 352.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 91963859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).