4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline

C18H19N3S — CID 51119970

IUPAC4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline
SMILESCc1nc(CN2CCCC2c2ccsc2)nc2ccccc12
InChIInChI=1S/C18H19N3S/c1-13-15-5-2-3-6-16(15)20-18(19-13)11-21-9-4-7-17(21)14-8-10-22-12-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3
InChIKeyDKEWJVQWAIGQSI-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.34
Rot. Bonds3

About 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline

4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline (PubChem CID 51119970) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline.

Molecular Properties

Compound Name4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline
PubChem CID51119970
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline
SMILESCc1nc(CN2CCCC2c2ccsc2)nc2ccccc12
InChIInChI=1S/C18H19N3S/c1-13-15-5-2-3-6-16(15)20-18(19-13)11-21-9-4-7-17(21)14-8-10-22-12-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3
InChIKeyDKEWJVQWAIGQSI-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline?
The IUPAC name of 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline (CID 51119970) is 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline.
What is the SMILES notation for 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline?
The canonical SMILES for 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline is Cc1nc(CN2CCCC2c2ccsc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline?
The InChIKey is DKEWJVQWAIGQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-15-5-2-3-6-16(15)20-18(19-13)11-21-9-4-7-17(21)14-8-10-22-12-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3.
What are the key properties of 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline?
4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline has a molecular weight of 309.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]quinazoline is sourced from PubChem (CID 51119970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).