3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

C23H21F3N4O3 — CID 142502763

IUPAC3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCc1cc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)no1
InChIInChI=1S/C23H21F3N4O3/c1-12-6-16(28-33-12)11-30-21-7-14(4-5-17(21)13(2)29(3)23(30)32)22(31)27-10-18-19(25)8-15(24)9-20(18)26/h4-9,13H,10-11H2,1-3H3,(H,27,31)
InChIKeyMMXKVTQMAROIKT-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.46
Rot. Bonds5

About 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (PubChem CID 142502763) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
PubChem CID142502763
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCc1cc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)no1
InChIInChI=1S/C23H21F3N4O3/c1-12-6-16(28-33-12)11-30-21-7-14(4-5-17(21)13(2)29(3)23(30)32)22(31)27-10-18-19(25)8-15(24)9-20(18)26/h4-9,13H,10-11H2,1-3H3,(H,27,31)
InChIKeyMMXKVTQMAROIKT-UHFFFAOYSA-N
XLogP4.46
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The IUPAC name of 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (CID 142502763) is 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The canonical SMILES for 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is Cc1cc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)no1.
What is the InChIKey of 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The InChIKey is MMXKVTQMAROIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-12-6-16(28-33-12)11-30-21-7-14(4-5-17(21)13(2)29(3)23(30)32)22(31)27-10-18-19(25)8-15(24)9-20(18)26/h4-9,13H,10-11H2,1-3H3,(H,27,31).
What are the key properties of 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 142502763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).