1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione

C22H25FN4O3 — CID 22632981

IUPAC1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione
SMILESCCn1c(=O)n(OCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C22H25FN4O3/c1-3-26-19-14-20(25-11-9-24(2)10-12-25)18(23)13-17(19)21(28)27(22(26)29)30-15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyYRALZKFZUKSPDK-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.70
Rot. Bonds5

About 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione (PubChem CID 22632981) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione
PubChem CID22632981
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione
SMILESCCn1c(=O)n(OCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C22H25FN4O3/c1-3-26-19-14-20(25-11-9-24(2)10-12-25)18(23)13-17(19)21(28)27(22(26)29)30-15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyYRALZKFZUKSPDK-UHFFFAOYSA-N
XLogP1.70
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione 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-ethyl-5,6,8-trifluoro-3-phenylmethoxy-7-pyrrolidin-1-ylquinazoline-2,4-dione
CID 22632997
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 22632892
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 23210440
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
(4-chlorophenyl)methyl 1-[(4-chlorophenyl)methyl]-6-fluoro-2-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 127052182
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-[(E)-3-oxo-3-phenylprop-1-enyl]quinolin-4-one
CID 163450120
benzyl 6-fluoro-1-[4-(methoxymethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 154061627
5-ethyl-8-fluoro-2-hydroxy-7-(4-methylpiperazin-1-yl)pyrimido[1,6-a]benzimidazole-1,3-dione
CID 15751514
sodium;1-ethyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-2-carboxylic acid;hydride
CID 173371437
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
CID 154634949
[4-ethyl-7-fluoro-6-(4-methylpiperazin-1-yl)-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]-phenylmethanone
CID 15370855

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione (CID 22632981) is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione is CCn1c(=O)n(OCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione?
The InChIKey is YRALZKFZUKSPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-3-26-19-14-20(25-11-9-24(2)10-12-25)18(23)13-17(19)21(28)27(22(26)29)30-15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione?
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione has a molecular weight of 412.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione is sourced from PubChem (CID 22632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).