(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one

C24H24N4O2 — CID 7368974

IUPAC(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one
SMILESCc1ccccc1[C@H]1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O2/c1-14-8-4-5-9-15(14)21-20-17(12-24(2,3)13-18(20)29)25-22(27-21)28-23-26-16-10-6-7-11-19(16)30-23/h4-11,21H,12-13H2,1-3H3,(H2,25,26,27,28)/t21-/m1/s1
InChIKeyWWLLXVNGEGENCP-OAQYLSRUSA-N
MW400.48 g/mol
LogP4.89
Rot. Bonds2

About (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one

(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 7368974) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one
PubChem CID7368974
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one
SMILESCc1ccccc1[C@H]1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O2/c1-14-8-4-5-9-15(14)21-20-17(12-24(2,3)13-18(20)29)25-22(27-21)28-23-26-16-10-6-7-11-19(16)30-23/h4-11,21H,12-13H2,1-3H3,(H2,25,26,27,28)/t21-/m1/s1
InChIKeyWWLLXVNGEGENCP-OAQYLSRUSA-N
XLogP4.89
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one with MolForge

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Related Compounds

(4S)-2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
CID 7356874
(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one
CID 7227997
2-(1,3-benzoxazol-2-ylamino)-4-(3-fluorophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
CID 4897010
2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926030
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
(4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 7660435
lithium;2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-7-(oxomethyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one;N-ethylethanamine
CID 156898676
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-7-(piperazine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 156898971
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-(2-methylpropyl)-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-5-one
CID 71660759
2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-naphthalen-1-yl-1,4,6,8-tetrahydroquinazolin-5-one
CID 4889814
2-(1,3-benzoxazol-2-ylamino)-1'-benzyl-7,7-dimethylspiro[6,8-dihydro-1H-quinazoline-4,4'-piperidine]-5-one
CID 4886849
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 46926031

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one (CID 7368974) is (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one is Cc1ccccc1[C@H]1N=C(Nc2nc3ccccc3o2)NC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is WWLLXVNGEGENCP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14-8-4-5-9-15(14)21-20-17(12-24(2,3)13-18(20)29)25-22(27-21)28-23-26-16-10-6-7-11-19(16)30-23/h4-11,21H,12-13H2,1-3H3,(H2,25,26,27,28)/t21-/m1/s1.
What are the key properties of (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one?
(4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 400.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-methylphenyl)-1,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 7368974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).