2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline

C18H17N3S — CID 71276597

IUPAC2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1cccc(-c2nc3c(c(-c4cccs4)n2)CCCC3)n1
InChIInChI=1S/C18H17N3S/c1-12-6-4-9-15(19-12)18-20-14-8-3-2-7-13(14)17(21-18)16-10-5-11-22-16/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyAYRGKJFYXCUOSM-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.45
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline

2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 71276597) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID71276597
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1cccc(-c2nc3c(c(-c4cccs4)n2)CCCC3)n1
InChIInChI=1S/C18H17N3S/c1-12-6-4-9-15(19-12)18-20-14-8-3-2-7-13(14)17(21-18)16-10-5-11-22-16/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyAYRGKJFYXCUOSM-UHFFFAOYSA-N
XLogP4.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline (CID 71276597) is 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline is Cc1cccc(-c2nc3c(c(-c4cccs4)n2)CCCC3)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is AYRGKJFYXCUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S/c1-12-6-4-9-15(19-12)18-20-14-8-3-2-7-13(14)17(21-18)16-10-5-11-22-16/h4-6,9-11H,2-3,7-8H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 307.42 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 71276597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).