[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone

C21H24FN7O2 — CID 42483271

IUPAC[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
SMILESCc1nonc1N1CCN(C(=O)[C@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C21H24FN7O2/c1-13-16-12-15(22)5-6-17(16)24-21(23-13)29-7-3-4-18(29)20(30)28-10-8-27(9-11-28)19-14(2)25-31-26-19/h5-6,12,18H,3-4,7-11H2,1-2H3/t18-/m1/s1
InChIKeyDEIRLTXSSIWCIJ-GOSISDBHSA-N
MW425.47 g/mol
LogP2.09
Rot. Bonds3

About [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone

[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone (PubChem CID 42483271) has the molecular formula C21H24FN7O2 and a molecular weight of 425.47 g/mol. Its IUPAC name is [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
PubChem CID42483271
Molecular FormulaC21H24FN7O2
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC Name[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
SMILESCc1nonc1N1CCN(C(=O)[C@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)CC1
InChIInChI=1S/C21H24FN7O2/c1-13-16-12-15(22)5-6-17(16)24-21(23-13)29-7-3-4-18(29)20(30)28-10-8-27(9-11-28)19-14(2)25-31-26-19/h5-6,12,18H,3-4,7-11H2,1-2H3/t18-/m1/s1
InChIKeyDEIRLTXSSIWCIJ-GOSISDBHSA-N
XLogP2.09
TPSA91.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-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

[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 45210473
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45171634
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 45198629
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 118757583
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42248070
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone (CID 42483271) is [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone is Cc1nonc1N1CCN(C(=O)[C@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)CC1.
What is the InChIKey of [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is DEIRLTXSSIWCIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN7O2/c1-13-16-12-15(22)5-6-17(16)24-21(23-13)29-7-3-4-18(29)20(30)28-10-8-27(9-11-28)19-14(2)25-31-26-19/h5-6,12,18H,3-4,7-11H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone?
[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 425.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42483271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).