2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one

C24H26N4O2 — CID 30321470

IUPAC2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O2/c1-4-30-19-12-10-17(11-13-19)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-18-9-8-15(2)16(3)14-18/h8-14H,4-7H2,1-3H3,(H2,25,26,27,28)
InChIKeyRNVANQMIHOSXHF-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.50
Rot. Bonds6

About 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one

2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 30321470) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID30321470
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O2/c1-4-30-19-12-10-17(11-13-19)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-18-9-8-15(2)16(3)14-18/h8-14H,4-7H2,1-3H3,(H2,25,26,27,28)
InChIKeyRNVANQMIHOSXHF-UHFFFAOYSA-N
XLogP5.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319027
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30318294
4-(4-chloroanilino)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30320044
2-N-(3,4-dimethylphenyl)-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3501575
4-(4-chloroanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903235
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
ethyl 4-[4-(4-chloroanilino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 30316107
4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903250
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903248
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 30321470) is 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is CCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CCC3)cc1.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is RNVANQMIHOSXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-30-19-12-10-17(11-13-19)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-18-9-8-15(2)16(3)14-18/h8-14H,4-7H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 402.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 30321470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).