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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Related Compounds

CID 118502708
CID 118502708
CID 25023788
CID 25023788
CID 118498935
CID 118498935
CID 118502919
CID 118502919
CID 25023784
CID 25023784
CID 25023790
CID 25023790
CID 2104149
CID 2104149
CID 2371118
CID 2371118
CID 2379207
CID 2379207
CID 2383474
CID 2383474
CID 2383493
CID 2383493
CID 118498627
CID 118498627

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).