2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide

C23H25FN4O3 — CID 46962515

IUPAC2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1F)N1CCC2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C23H25FN4O3/c1-15(21(30)25-14-16-6-2-4-8-18(16)24)28-13-12-23(11-10-20(28)29)26-19-9-5-3-7-17(19)22(31)27-23/h2-9,15,26H,10-14H2,1H3,(H,25,30)(H,27,31)
InChIKeyLPDZWIOVZCSMAP-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.39
Rot. Bonds4

About 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide

2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 46962515) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID46962515
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1F)N1CCC2(CCC1=O)NC(=O)c1ccccc1N2
InChIInChI=1S/C23H25FN4O3/c1-15(21(30)25-14-16-6-2-4-8-18(16)24)28-13-12-23(11-10-20(28)29)26-19-9-5-3-7-17(19)22(31)27-23/h2-9,15,26H,10-14H2,1H3,(H,25,30)(H,27,31)
InChIKeyLPDZWIOVZCSMAP-UHFFFAOYSA-N
XLogP2.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide 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

(2S)-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-prop-2-ynylpropanamide
CID 95793724
N-tert-butyl-2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)propanamide
CID 110212320
ethyl (2S)-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanoate
CID 95793434
2-(7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 110212997
1'-(1-oxo-1-piperidin-1-ylpropan-2-yl)spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110212312
(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95794830
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 110212353
(2S)-2-[(2R)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 95794825
(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 95794868
(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide
CID 95793291
2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 95792986
ethyl 2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]acetate
CID 51595581

Frequently Asked Questions

What is the IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 46962515) is 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide is CC(C(=O)NCc1ccccc1F)N1CCC2(CCC1=O)NC(=O)c1ccccc1N2.
What is the InChIKey of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is LPDZWIOVZCSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15(21(30)25-14-16-6-2-4-8-18(16)24)28-13-12-23(11-10-20(28)29)26-19-9-5-3-7-17(19)22(31)27-23/h2-9,15,26H,10-14H2,1H3,(H,25,30)(H,27,31).
What are the key properties of 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide?
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 424.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 46962515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).