1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone

C20H22N4O2 — CID 46964650

IUPAC1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone
SMILESCC(C)C1c2cccn2CCN1C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C20H22N4O2/c1-14(2)19-17-8-5-9-23(17)10-11-24(19)18(25)12-26-20-15-6-3-4-7-16(15)21-13-22-20/h3-9,13-14,19H,10-12H2,1-2H3
InChIKeyYZMARRLBZOYGJI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds4

About 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone

1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 46964650) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone
PubChem CID46964650
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone
SMILESCC(C)C1c2cccn2CCN1C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C20H22N4O2/c1-14(2)19-17-8-5-9-23(17)10-11-24(19)18(25)12-26-20-15-6-3-4-7-16(15)21-13-22-20/h3-9,13-14,19H,10-12H2,1-2H3
InChIKeyYZMARRLBZOYGJI-UHFFFAOYSA-N
XLogP3.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone (CID 46964650) is 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone is CC(C)C1c2cccn2CCN1C(=O)COc1ncnc2ccccc12.
What is the InChIKey of 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is YZMARRLBZOYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)19-17-8-5-9-23(17)10-11-24(19)18(25)12-26-20-15-6-3-4-7-16(15)21-13-22-20/h3-9,13-14,19H,10-12H2,1-2H3.
What are the key properties of 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone?
1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 350.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 46964650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).