3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one

C25H28ClFN4O3 — CID 135201323

IUPAC3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCCC1(CC(C)C)OC(=O)N(c2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1C
InChIInChI=1S/C25H28ClFN4O3/c1-6-25(12-14(2)3)15(4)31(24(32)34-25)20-10-16-19(11-21(20)33-5)28-13-29-23(16)30-18-9-7-8-17(26)22(18)27/h7-11,13-15H,6,12H2,1-5H3,(H,28,29,30)
InChIKeyXEJYIGDDMXVWQM-UHFFFAOYSA-N
MW486.98 g/mol
LogP6.71
Rot. Bonds7

About 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one

3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 135201323) has the molecular formula C25H28ClFN4O3 and a molecular weight of 486.98 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID135201323
Molecular FormulaC25H28ClFN4O3
Molecular Weight486.98 g/mol
Exact Mass486.18
IUPAC Name3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCCC1(CC(C)C)OC(=O)N(c2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1C
InChIInChI=1S/C25H28ClFN4O3/c1-6-25(12-14(2)3)15(4)31(24(32)34-25)20-10-16-19(11-21(20)33-5)28-13-29-23(16)30-18-9-7-8-17(26)22(18)27/h7-11,13-15H,6,12H2,1-5H3,(H,28,29,30)
InChIKeyXEJYIGDDMXVWQM-UHFFFAOYSA-N
XLogP6.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-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

3-[7-(difluoromethoxy)-4-(2-fluoro-3-methoxyanilino)quinazolin-6-yl]-5-ethyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 135201395
(3R)-7-[4-(2-fluoro-3-hydroxyanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 166969322
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135201558
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
7-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one;hydroxy-methylidene-(4-methylphenyl)-oxo-λ6-sulfane
CID 165058146
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine
CID 143021800
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534
7-[4-(3-chloro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201721
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexane;methylcyclohexane
CID 143731396
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylsulfonylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 11755502

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 135201323) is 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one is CCC1(CC(C)C)OC(=O)N(c2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1C.
What is the InChIKey of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is XEJYIGDDMXVWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O3/c1-6-25(12-14(2)3)15(4)31(24(32)34-25)20-10-16-19(11-21(20)33-5)28-13-29-23(16)30-18-9-7-8-17(26)22(18)27/h7-11,13-15H,6,12H2,1-5H3,(H,28,29,30).
What are the key properties of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 486.98 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135201323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).