(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

C18H14BrN3O3 — CID 51974302

IUPAC(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESO=C1N[C@]2(C(=O)Nc3cccc(Br)c3)CCC(=O)N2c2ccccc21
InChIInChI=1S/C18H14BrN3O3/c19-11-4-3-5-12(10-11)20-17(25)18-9-8-15(23)22(18)14-7-2-1-6-13(14)16(24)21-18/h1-7,10H,8-9H2,(H,20,25)(H,21,24)/t18-/m1/s1
InChIKeyXGQNNHWXYIOBAY-GOSISDBHSA-N
MW400.23 g/mol
LogP2.65
Rot. Bonds2

About (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide

(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide (PubChem CID 51974302) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide.

Molecular Properties

Compound Name(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
PubChem CID51974302
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
SMILESO=C1N[C@]2(C(=O)Nc3cccc(Br)c3)CCC(=O)N2c2ccccc21
InChIInChI=1S/C18H14BrN3O3/c19-11-4-3-5-12(10-11)20-17(25)18-9-8-15(23)22(18)14-7-2-1-6-13(14)16(24)21-18/h1-7,10H,8-9H2,(H,20,25)(H,21,24)/t18-/m1/s1
InChIKeyXGQNNHWXYIOBAY-GOSISDBHSA-N
XLogP2.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS)-N-(4-butoxyphenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974892
(3aS)-N-(3-acetamidophenyl)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974463
(3aR)-N-(4-bromophenyl)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51972660
N-(3-acetamidophenyl)-4-(2-methylpropyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 75269414
2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
CID 83559333
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
N-(3-bromophenyl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51837600
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
4-benzyl-N-(3,4-difluorophenyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 42891612

Frequently Asked Questions

What is the IUPAC name of (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide?
The IUPAC name of (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide (CID 51974302) is (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide.
What is the SMILES notation for (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide?
The canonical SMILES for (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide is O=C1N[C@]2(C(=O)Nc3cccc(Br)c3)CCC(=O)N2c2ccccc21.
What is the InChIKey of (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide?
The InChIKey is XGQNNHWXYIOBAY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-11-4-3-5-12(10-11)20-17(25)18-9-8-15(23)22(18)14-7-2-1-6-13(14)16(24)21-18/h1-7,10H,8-9H2,(H,20,25)(H,21,24)/t18-/m1/s1.
What are the key properties of (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide?
(3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide has a molecular weight of 400.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-N-(3-bromophenyl)-1,5-dioxo-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-3a-carboxamide is sourced from PubChem (CID 51974302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).