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

C13H14N2O2 — CID 53309958

IUPAC3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1ccc2c(c1)C(=O)NC1(C)CCC(=O)N21
InChIInChI=1S/C13H14N2O2/c1-8-3-4-10-9(7-8)12(17)14-13(2)6-5-11(16)15(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyICGLQMMUTRJCCT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.58
Rot. Bonds

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

3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 53309958) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID53309958
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1ccc2c(c1)C(=O)NC1(C)CCC(=O)N21
InChIInChI=1S/C13H14N2O2/c1-8-3-4-10-9(7-8)12(17)14-13(2)6-5-11(16)15(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyICGLQMMUTRJCCT-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3a-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 46223858
4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387739
9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one
CID 172635665
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731000
1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169443
3-hydroxy-3,5-dimethyl-2H-isoindol-1-one
CID 155187215
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
3,3,4a,7-tetramethyl-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-1-thione
CID 10332895
1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716900
N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169556
1-amino-7-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 142044800
(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974302

Frequently Asked Questions

What is the IUPAC name of 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione (CID 53309958) is 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione is Cc1ccc2c(c1)C(=O)NC1(C)CCC(=O)N21.
What is the InChIKey of 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is ICGLQMMUTRJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-3-4-10-9(7-8)12(17)14-13(2)6-5-11(16)15(10)13/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione?
3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 53309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).