2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid

C25H24N2O4 — CID 2094101

IUPAC2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid
SMILESCc1ccc(CN2C(=O)c3ccccc3N[C@@]2(C)c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)15-27-24(30)21-5-3-4-6-22(21)26-25(27,2)19-11-13-20(14-12-19)31-16-23(28)29/h3-14,26H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1
InChIKeyKTFGJXJLIHONBB-RUZDIDTESA-N
MW416.48 g/mol
LogP4.40
Rot. Bonds6

About 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid

2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid (PubChem CID 2094101) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid
PubChem CID2094101
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid
SMILESCc1ccc(CN2C(=O)c3ccccc3N[C@@]2(C)c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)15-27-24(30)21-5-3-4-6-22(21)26-25(27,2)19-11-13-20(14-12-19)31-16-23(28)29/h3-14,26H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1
InChIKeyKTFGJXJLIHONBB-RUZDIDTESA-N
XLogP4.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-[2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid
CID 3978371
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
3-benzyl-2-methyl-2-[4-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54779256
2-[4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006605
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
3-butyl-2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780126
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid (CID 2094101) is 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid is Cc1ccc(CN2C(=O)c3ccccc3N[C@@]2(C)c2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid?
The InChIKey is KTFGJXJLIHONBB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-7-9-18(10-8-17)15-27-24(30)21-5-3-4-6-22(21)26-25(27,2)19-11-13-20(14-12-19)31-16-23(28)29/h3-14,26H,15-16H2,1-2H3,(H,28,29)/t25-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid?
2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid has a molecular weight of 416.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 2094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).