1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C19H21F2N5O3 — CID 56575367

IUPAC1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2nc(C(F)F)nc3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C19H21F2N5O3/c20-15(21)16-22-14-4-2-1-3-13(14)17(23-16)24-5-7-25(8-6-24)18(27)19(28)26-9-11-29-12-10-26/h1-4,15H,5-12H2
InChIKeyIXNBLBAADVNHBA-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.07
Rot. Bonds2

About 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 56575367) has the molecular formula C19H21F2N5O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID56575367
Molecular FormulaC19H21F2N5O3
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2nc(C(F)F)nc3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C19H21F2N5O3/c20-15(21)16-22-14-4-2-1-3-13(14)17(23-16)24-5-7-25(8-6-24)18(27)19(28)26-9-11-29-12-10-26/h1-4,15H,5-12H2
InChIKeyIXNBLBAADVNHBA-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-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

4-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 133307590
4-[2-(difluoromethyl)quinazolin-4-yl]-2-methyl-1,4-oxazepane
CID 154836416
2-(difluoromethyl)-4-(4,4-dimethylazepan-1-yl)quinazoline
CID 133322934
4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(difluoromethyl)quinazoline
CID 56554013
7-amino-2-[2-(difluoromethyl)quinazolin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 167789766
1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol
CID 133362572
(9aS)-2-[2-(difluoromethyl)quinazolin-4-yl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 96533877
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
1-[(3S)-1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100676372
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
CID 50852162
2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
CID 133308282
1-morpholin-4-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]ethane-1,2-dione
CID 55635933

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 56575367) is 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCN(c2nc(C(F)F)nc3ccccc23)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is IXNBLBAADVNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3/c20-15(21)16-22-14-4-2-1-3-13(14)17(23-16)24-5-7-25(8-6-24)18(27)19(28)26-9-11-29-12-10-26/h1-4,15H,5-12H2.
What are the key properties of 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 405.41 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(difluoromethyl)quinazolin-4-yl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 56575367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).