2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol

C20H24N4OS — CID 133281392

IUPAC2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(CNc2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C20H24N4OS/c25-12-11-24-9-7-15(8-10-24)14-21-19-16-4-1-2-5-17(16)22-20(23-19)18-6-3-13-26-18/h1-6,13,15,25H,7-12,14H2,(H,21,22,23)
InChIKeyVAZBPMAXIFTWHQ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol

2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 133281392) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID133281392
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(CNc2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C20H24N4OS/c25-12-11-24-9-7-15(8-10-24)14-21-19-16-4-1-2-5-17(16)22-20(23-19)18-6-3-13-26-18/h1-6,13,15,25H,7-12,14H2,(H,21,22,23)
InChIKeyVAZBPMAXIFTWHQ-UHFFFAOYSA-N
XLogP3.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
CID 19392297
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 24590562
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 4827480
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
4-(2-pyrrolidin-1-ylethylsulfanyl)-2-thiophen-2-ylquinazoline
CID 166179640
piperidin-1-yl-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]methanone
CID 26448373
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol (CID 133281392) is 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol is OCCN1CCC(CNc2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is VAZBPMAXIFTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-12-11-24-9-7-15(8-10-24)14-21-19-16-4-1-2-5-17(16)22-20(23-19)18-6-3-13-26-18/h1-6,13,15,25H,7-12,14H2,(H,21,22,23).
What are the key properties of 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 368.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 133281392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).