4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C23H22Cl2N4O2 — CID 30321439

IUPAC4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C23H22Cl2N4O2/c1-23(2)11-17-20(18(30)12-23)21(26-13-8-9-14(24)15(25)10-13)29-22(28-17)27-16-6-4-5-7-19(16)31-3/h4-10H,11-12H2,1-3H3,(H2,26,27,28,29)
InChIKeyMKTBGTUPHHULEG-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.43
Rot. Bonds5

About 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 30321439) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID30321439
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC Name4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C23H22Cl2N4O2/c1-23(2)11-17-20(18(30)12-23)21(26-13-8-9-14(24)15(25)10-13)29-22(28-17)27-16-6-4-5-7-19(16)31-3/h4-10H,11-12H2,1-3H3,(H2,26,27,28,29)
InChIKeyMKTBGTUPHHULEG-UHFFFAOYSA-N
XLogP6.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321428
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207
2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318632
7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
CID 30320686
4-(3,4-dichloroanilino)-2-(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319078
4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one
CID 30317104

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 30321439) is 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is COc1ccccc1Nc1nc2c(c(Nc3ccc(Cl)c(Cl)c3)n1)C(=O)CC(C)(C)C2.
What is the InChIKey of 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is MKTBGTUPHHULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-23(2)11-17-20(18(30)12-23)21(26-13-8-9-14(24)15(25)10-13)29-22(28-17)27-16-6-4-5-7-19(16)31-3/h4-10H,11-12H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 457.36 g/mol, XLogP of 6.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).