4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

C25H25F2N5O2 — CID 45171634

IUPAC4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1nc(N2CCCC2C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc2ccc(F)cc12
InChIInChI=1S/C25H25F2N5O2/c1-16-20-13-19(27)8-9-21(20)29-25(28-16)32-10-2-3-22(32)24(34)31-12-11-30(23(33)15-31)14-17-4-6-18(26)7-5-17/h4-9,13,22H,2-3,10-12,14-15H2,1H3
InChIKeyXDUWVCUXYGQUAP-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.06
Rot. Bonds4

About 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 45171634) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID45171634
Molecular FormulaC25H25F2N5O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC Name4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1nc(N2CCCC2C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc2ccc(F)cc12
InChIInChI=1S/C25H25F2N5O2/c1-16-20-13-19(27)8-9-21(20)29-25(28-16)32-10-2-3-22(32)24(34)31-12-11-30(23(33)15-31)14-17-4-6-18(26)7-5-17/h4-9,13,22H,2-3,10-12,14-15H2,1H3
InChIKeyXDUWVCUXYGQUAP-UHFFFAOYSA-N
XLogP3.06
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

[(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
[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 45210473
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 45198629
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 86286910
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469
4-[1-[2-(dimethylamino)ethyl]-6-oxopiperidine-3-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45204392
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
1-[(4-fluorophenyl)methyl]-4-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97197113
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 45171634) is 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is Cc1nc(N2CCCC2C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc2ccc(F)cc12.
What is the InChIKey of 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is XDUWVCUXYGQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2/c1-16-20-13-19(27)8-9-21(20)29-25(28-16)32-10-2-3-22(32)24(34)31-12-11-30(23(33)15-31)14-17-4-6-18(26)7-5-17/h4-9,13,22H,2-3,10-12,14-15H2,1H3.
What are the key properties of 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 465.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 45171634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).