8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

C21H19ClFN5O2 — CID 141296538

IUPAC8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCN1CCC(n2c(=O)oc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc32)CC1
InChIInChI=1S/C21H19ClFN5O2/c1-27-6-4-13(5-7-27)28-18-9-14-17(10-19(18)30-21(28)29)24-11-25-20(14)26-12-2-3-16(23)15(22)8-12/h2-3,8-11,13H,4-7H2,1H3,(H,24,25,26)
InChIKeyHLBGJLZFXSUVPR-UHFFFAOYSA-N
MW427.87 g/mol
LogP4.34
Rot. Bonds3

About 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 141296538) has the molecular formula C21H19ClFN5O2 and a molecular weight of 427.87 g/mol. Its IUPAC name is 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID141296538
Molecular FormulaC21H19ClFN5O2
Molecular Weight427.87 g/mol
Exact Mass427.12
IUPAC Name8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCN1CCC(n2c(=O)oc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc32)CC1
InChIInChI=1S/C21H19ClFN5O2/c1-27-6-4-13(5-7-27)28-18-9-14-17(10-19(18)30-21(28)29)24-11-25-20(14)26-12-2-3-16(23)15(22)8-12/h2-3,8-11,13H,4-7H2,1H3,(H,24,25,26)
InChIKeyHLBGJLZFXSUVPR-UHFFFAOYSA-N
XLogP4.34
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one 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

2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-chloroacetate
CID 134148374
2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134133060
1-azabicyclo[2.1.0]pentane;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline-6-thiol
CID 175053931
N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-3-(1-methylpiperidin-4-yl)prop-2-enamide
CID 78160786
2-[8-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-bromoacetate
CID 134133329
N-(3-chloro-4-fluorophenyl)-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[4,5-d]pyrimidin-5-amine
CID 142637899
(4R)-N-[4-(3-chloro-4-fluoroanilino)-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 127050677
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 6918508
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-3-methylimidazolidin-2-one
CID 20819661
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
CID 141440637

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 141296538) is 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is CN1CCC(n2c(=O)oc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc32)CC1.
What is the InChIKey of 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is HLBGJLZFXSUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O2/c1-27-6-4-13(5-7-27)28-18-9-14-17(10-19(18)30-21(28)29)24-11-25-20(14)26-12-2-3-16(23)15(22)8-12/h2-3,8-11,13H,4-7H2,1H3,(H,24,25,26).
What are the key properties of 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 427.87 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluoroanilino)-1-(1-methylpiperidin-4-yl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 141296538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).