methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate

C19H20N2O2 — CID 95789541

IUPACmethyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(C)=Nc2ccccc2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-8-10-15(11-9-13)19-16-6-4-5-7-17(16)20-14(2)21(19)12-18(22)23-3/h4-11,19H,12H2,1-3H3/t19-/m1/s1
InChIKeyMFHZNJGEYIOSRG-LJQANCHMSA-N
MW308.38 g/mol
LogP3.62
Rot. Bonds3

About methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate

methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate (PubChem CID 95789541) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
PubChem CID95789541
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(C)=Nc2ccccc2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20N2O2/c1-13-8-10-15(11-9-13)19-16-6-4-5-7-17(16)20-14(2)21(19)12-18(22)23-3/h4-11,19H,12H2,1-3H3/t19-/m1/s1
InChIKeyMFHZNJGEYIOSRG-LJQANCHMSA-N
XLogP3.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate (CID 95789541) is methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate is COC(=O)CN1C(C)=Nc2ccccc2[C@H]1c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate?
The InChIKey is MFHZNJGEYIOSRG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-10-15(11-9-13)19-16-6-4-5-7-17(16)20-14(2)21(19)12-18(22)23-3/h4-11,19H,12H2,1-3H3/t19-/m1/s1.
What are the key properties of methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate?
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate has a molecular weight of 308.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 95789541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).