6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C23H22FN3O2 — CID 154838786

IUPAC6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC1CC(c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1
InChIInChI=1S/C23H22FN3O2/c1-14-10-20(15-4-2-5-17(24)11-15)27(13-14)22(28)16-7-8-18-19(12-16)25-21-6-3-9-26(21)23(18)29/h2,4-5,7-8,11-12,14,20H,3,6,9-10,13H2,1H3
InChIKeyOTZMEYGNQIUBQF-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.71
Rot. Bonds2

About 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 154838786) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID154838786
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC1CC(c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1
InChIInChI=1S/C23H22FN3O2/c1-14-10-20(15-4-2-5-17(24)11-15)27(13-14)22(28)16-7-8-18-19(12-16)25-21-6-3-9-26(21)23(18)29/h2,4-5,7-8,11-12,14,20H,3,6,9-10,13H2,1H3
InChIKeyOTZMEYGNQIUBQF-UHFFFAOYSA-N
XLogP3.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 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

3-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 55530016
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 8949267
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 3635345
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525957
3-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 26661028
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 154838786) is 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CC1CC(c2cccc(F)c2)N(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C1.
What is the InChIKey of 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is OTZMEYGNQIUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14-10-20(15-4-2-5-17(24)11-15)27(13-14)22(28)16-7-8-18-19(12-16)25-21-6-3-9-26(21)23(18)29/h2,4-5,7-8,11-12,14,20H,3,6,9-10,13H2,1H3.
What are the key properties of 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 391.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 154838786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).