4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

C19H19N3O2 — CID 57387739

IUPAC4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1ccc2c(c1)C(=O)N(Nc1ccccc1)C1(C)CCC(=O)N21
InChIInChI=1S/C19H19N3O2/c1-13-8-9-16-15(12-13)18(24)22(20-14-6-4-3-5-7-14)19(2)11-10-17(23)21(16)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJDLHSHQIAJIWGO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds2

About 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (PubChem CID 57387739) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
PubChem CID57387739
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
SMILESCc1ccc2c(c1)C(=O)N(Nc1ccccc1)C1(C)CCC(=O)N21
InChIInChI=1S/C19H19N3O2/c1-13-8-9-16-15(12-13)18(24)22(20-14-6-4-3-5-7-14)19(2)11-10-17(23)21(16)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJDLHSHQIAJIWGO-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloroanilino)-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387741
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 55584564
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 53309958
6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
CID 57387965
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 166190560
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55578058
1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55607266
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 55606279
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]propanamide
CID 55597019
(2R,3aR)-4-anilino-2,3a-dimethyl-2-[4-(2-methylpropyl)phenyl]-3H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 57384202
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 55631735

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The IUPAC name of 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione (CID 57387739) is 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione.
What is the SMILES notation for 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The canonical SMILES for 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is Cc1ccc2c(c1)C(=O)N(Nc1ccccc1)C1(C)CCC(=O)N21.
What is the InChIKey of 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
The InChIKey is JDLHSHQIAJIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-9-16-15(12-13)18(24)22(20-14-6-4-3-5-7-14)19(2)11-10-17(23)21(16)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione?
4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione has a molecular weight of 321.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 57387739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).