3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one

C16H21N3O2 — CID 110187652

IUPAC3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCC12CCCN1c1ccccc1C(=O)N2N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-16-7-4-8-18(16)14-6-3-2-5-13(14)15(20)19(16)17-9-11-21-12-10-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyPKXNFBGJPBQGBF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.71
Rot. Bonds1

About 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one

3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 110187652) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID110187652
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCC12CCCN1c1ccccc1C(=O)N2N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-16-7-4-8-18(16)14-6-3-2-5-13(14)15(20)19(16)17-9-11-21-12-10-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyPKXNFBGJPBQGBF-UHFFFAOYSA-N
XLogP1.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one with MolForge

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Related Compounds

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CID 139222368
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CID 57312191
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
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3a-methyl-4-[2-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55607692
(6aR)-6a-benzyl-5-propan-2-yl-8,9-dihydro-7H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 101374992
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
CID 10655190
(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
CID 129305590
(4R)-2-[(2R)-butan-2-yl]-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
CID 95388684
4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 141310888
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
(4S)-2-(2-fluorophenyl)-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-one
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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one (CID 110187652) is 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one is CC12CCCN1c1ccccc1C(=O)N2N1CCOCC1.
What is the InChIKey of 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is PKXNFBGJPBQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16-7-4-8-18(16)14-6-3-2-5-13(14)15(20)19(16)17-9-11-21-12-10-17/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one?
3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 287.36 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-4-morpholin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 110187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).