[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C21H22FN5O — CID 90055045

IUPAC[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cccc(F)c3)cc3c(N)ncnc23)C1
InChIInChI=1S/C21H22FN5O/c1-26(2)16-6-7-27(11-16)21(28)18-10-14(13-4-3-5-15(22)8-13)9-17-19(18)24-12-25-20(17)23/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,23,24,25)
InChIKeyYGKRIMOAXSJGCX-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.79
Rot. Bonds3

About [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 90055045) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID90055045
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cccc(F)c3)cc3c(N)ncnc23)C1
InChIInChI=1S/C21H22FN5O/c1-26(2)16-6-7-27(11-16)21(28)18-10-14(13-4-3-5-15(22)8-13)9-17-19(18)24-12-25-20(17)23/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,23,24,25)
InChIKeyYGKRIMOAXSJGCX-UHFFFAOYSA-N
XLogP2.79
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone 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-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
1-[4-[1-amino-7-(3-fluorophenyl)isoquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 71678279
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 154700390
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone
CID 175774339

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 90055045) is [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(-c3cccc(F)c3)cc3c(N)ncnc23)C1.
What is the InChIKey of [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is YGKRIMOAXSJGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-26(2)16-6-7-27(11-16)21(28)18-10-14(13-4-3-5-15(22)8-13)9-17-19(18)24-12-25-20(17)23/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H2,23,24,25).
What are the key properties of [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(3-fluorophenyl)quinazolin-8-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90055045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).