(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C22H21N3O — CID 41386580

IUPAC(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1
InChIInChI=1S/C22H21N3O/c1-14-8-10-16(11-9-14)17-12-19-21(20(26)13-17)15(2)23-22(25-19)24-18-6-4-3-5-7-18/h3-11,17H,12-13H2,1-2H3,(H,23,24,25)/t17-/m1/s1
InChIKeyXLYDILLZRAEWDG-QGZVFWFLSA-N
MW343.43 g/mol
LogP4.75
Rot. Bonds3

About (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41386580) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41386580
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1
InChIInChI=1S/C22H21N3O/c1-14-8-10-16(11-9-14)17-12-19-21(20(26)13-17)15(2)23-22(25-19)24-18-6-4-3-5-7-18/h3-11,17H,12-13H2,1-2H3,(H,23,24,25)/t17-/m1/s1
InChIKeyXLYDILLZRAEWDG-QGZVFWFLSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 41386580) is (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1.
What is the InChIKey of (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XLYDILLZRAEWDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-8-10-16(11-9-14)17-12-19-21(20(26)13-17)15(2)23-22(25-19)24-18-6-4-3-5-7-18/h3-11,17H,12-13H2,1-2H3,(H,23,24,25)/t17-/m1/s1.
What are the key properties of (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 343.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-anilino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41386580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).