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

C24H24Cl2N4O — CID 30321787

IUPAC4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4ccc(Cl)c(Cl)c4)n2)C(=O)CC(C)(C)C3)cc1C
InChIInChI=1S/C24H24Cl2N4O/c1-13-5-6-15(9-14(13)2)28-23-29-19-11-24(3,4)12-20(31)21(19)22(30-23)27-16-7-8-17(25)18(26)10-16/h5-10H,11-12H2,1-4H3,(H2,27,28,29,30)
InChIKeyTUIPBGDDVXQMRF-UHFFFAOYSA-N
MW455.39 g/mol
LogP7.04
Rot. Bonds4

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

4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 30321787) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID30321787
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4ccc(Cl)c(Cl)c4)n2)C(=O)CC(C)(C)C3)cc1C
InChIInChI=1S/C24H24Cl2N4O/c1-13-5-6-15(9-14(13)2)28-23-29-19-11-24(3,4)12-20(31)21(19)22(30-23)27-16-7-8-17(25)18(26)10-16/h5-10H,11-12H2,1-4H3,(H2,27,28,29,30)
InChIKeyTUIPBGDDVXQMRF-UHFFFAOYSA-N
XLogP7.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-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-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439
4-(4-chloroanilino)-7,7-dimethyl-2-(3-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30320311
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
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
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
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
4-(4-chloroanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903235
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 30321787) is 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is Cc1ccc(Nc2nc3c(c(Nc4ccc(Cl)c(Cl)c4)n2)C(=O)CC(C)(C)C3)cc1C.
What is the InChIKey of 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is TUIPBGDDVXQMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c1-13-5-6-15(9-14(13)2)28-23-29-19-11-24(3,4)12-20(31)21(19)22(30-23)27-16-7-8-17(25)18(26)10-16/h5-10H,11-12H2,1-4H3,(H2,27,28,29,30).
What are the key properties of 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 455.39 g/mol, XLogP of 7.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30321787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).