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

C24H26N4O3 — CID 17198365

IUPAC2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccc(Nc2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2)13-19-21(20(29)14-24)22(25-15-5-9-17(30-3)10-6-15)28-23(27-19)26-16-7-11-18(31-4)12-8-16/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28)
InChIKeyRBXMXLNXKQYZRW-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.14
Rot. Bonds6

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

2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 17198365) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID17198365
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccc(Nc2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2)13-19-21(20(29)14-24)22(25-15-5-9-17(30-3)10-6-15)28-23(27-19)26-16-7-11-18(31-4)12-8-16/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28)
InChIKeyRBXMXLNXKQYZRW-UHFFFAOYSA-N
XLogP5.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
4-(4-chloroanilino)-7,7-dimethyl-2-(3-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30320311
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
CID 30320686
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 17198365) is 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is COc1ccc(Nc2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is RBXMXLNXKQYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(2)13-19-21(20(29)14-24)22(25-15-5-9-17(30-3)10-6-15)28-23(27-19)26-16-7-11-18(31-4)12-8-16/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28).
What are the key properties of 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 418.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 17198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).