4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

C14H20N2O — CID 25188279

IUPAC4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESCOCCN1Cc2ccccc2N2CCCC12
InChIInChI=1S/C14H20N2O/c1-17-10-9-15-11-12-5-2-3-6-13(12)16-8-4-7-14(15)16/h2-3,5-6,14H,4,7-11H2,1H3
InChIKeyBMMYFZHLQZMDJG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds3

About 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (PubChem CID 25188279) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
PubChem CID25188279
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESCOCCN1Cc2ccccc2N2CCCC12
InChIInChI=1S/C14H20N2O/c1-17-10-9-15-11-12-5-2-3-6-13(12)16-8-4-7-14(15)16/h2-3,5-6,14H,4,7-11H2,1H3
InChIKeyBMMYFZHLQZMDJG-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The IUPAC name of 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (CID 25188279) is 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.
What is the SMILES notation for 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The canonical SMILES for 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is COCCN1Cc2ccccc2N2CCCC12.
What is the InChIKey of 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The InChIKey is BMMYFZHLQZMDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-10-9-15-11-12-5-2-3-6-13(12)16-8-4-7-14(15)16/h2-3,5-6,14H,4,7-11H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline has a molecular weight of 232.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is sourced from PubChem (CID 25188279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).