2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline

C17H16N4 — CID 114740772

IUPAC2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline
SMILESCCc1nc(-c2ccc3ccccc3n2)nc2c1CNC2
InChIInChI=1S/C17H16N4/c1-2-13-12-9-18-10-16(12)21-17(20-13)15-8-7-11-5-3-4-6-14(11)19-15/h3-8,18H,2,9-10H2,1H3
InChIKeyZZUIDZMLUSVFBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline

2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline (PubChem CID 114740772) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline
PubChem CID114740772
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline
SMILESCCc1nc(-c2ccc3ccccc3n2)nc2c1CNC2
InChIInChI=1S/C17H16N4/c1-2-13-12-9-18-10-16(12)21-17(20-13)15-8-7-11-5-3-4-6-14(11)19-15/h3-8,18H,2,9-10H2,1H3
InChIKeyZZUIDZMLUSVFBN-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline?
The IUPAC name of 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline (CID 114740772) is 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline.
What is the SMILES notation for 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline?
The canonical SMILES for 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline is CCc1nc(-c2ccc3ccccc3n2)nc2c1CNC2.
What is the InChIKey of 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline?
The InChIKey is ZZUIDZMLUSVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-13-12-9-18-10-16(12)21-17(20-13)15-8-7-11-5-3-4-6-14(11)19-15/h3-8,18H,2,9-10H2,1H3.
What are the key properties of 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline?
2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline has a molecular weight of 276.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline is sourced from PubChem (CID 114740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).