[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C20H28N4OS — CID 45199460

IUPAC[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1ccc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)s1
InChIInChI=1S/C20H28N4OS/c1-14-5-6-16(26-14)11-21-18-3-2-4-19-17(18)12-22-20(23-19)24-9-7-15(13-25)8-10-24/h5-6,12,15,18,21,25H,2-4,7-11,13H2,1H3
InChIKeyMHWYKVRJXAHOFU-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.22
Rot. Bonds5

About [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45199460) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45199460
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1ccc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)s1
InChIInChI=1S/C20H28N4OS/c1-14-5-6-16(26-14)11-21-18-3-2-4-19-17(18)12-22-20(23-19)24-9-7-15(13-25)8-10-24/h5-6,12,15,18,21,25H,2-4,7-11,13H2,1H3
InChIKeyMHWYKVRJXAHOFU-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45199460) is [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is Cc1ccc(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)s1.
What is the InChIKey of [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is MHWYKVRJXAHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-5-6-16(26-14)11-21-18-3-2-4-19-17(18)12-22-20(23-19)24-9-7-15(13-25)8-10-24/h5-6,12,15,18,21,25H,2-4,7-11,13H2,1H3.
What are the key properties of [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 372.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45199460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).