7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione

C12H11ClN2O2 — CID 46223858

IUPAC7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccc(Cl)cc1C(=O)N2
InChIInChI=1S/C12H11ClN2O2/c1-12-5-4-10(16)15(12)9-3-2-7(13)6-8(9)11(17)14-12/h2-3,6H,4-5H2,1H3,(H,14,17)
InChIKeyPZVMBZNKJHILHZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.93
Rot. Bonds

About 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione

7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 46223858) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID46223858
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCC12CCC(=O)N1c1ccc(Cl)cc1C(=O)N2
InChIInChI=1S/C12H11ClN2O2/c1-12-5-4-10(16)15(12)9-3-2-7(13)6-8(9)11(17)14-12/h2-3,6H,4-5H2,1H3,(H,14,17)
InChIKeyPZVMBZNKJHILHZ-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 53309958
7-chloro-2-hexyl-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 46224100
7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 166610621
4-(3-chloroanilino)-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387741
6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
CID 84727449
1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one
CID 12701924
9-chloro-5,5-dimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
CID 155667532
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
7-chloro-3a,5-dimethyl-2,3,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 46928820
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672
4-(3-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023493
1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione (CID 46223858) is 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione is CC12CCC(=O)N1c1ccc(Cl)cc1C(=O)N2.
What is the InChIKey of 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is PZVMBZNKJHILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-12-5-4-10(16)15(12)9-3-2-7(13)6-8(9)11(17)14-12/h2-3,6H,4-5H2,1H3,(H,14,17).
What are the key properties of 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 250.69 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 46223858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).