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

C18H22N4O — CID 66507645

IUPAC4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)c1C
InChIInChI=1S/C18H22N4O/c1-10-6-5-7-12(11(10)2)20-17-21-13-8-18(3,4)9-14(23)15(13)16(19)22-17/h5-7H,8-9H2,1-4H3,(H3,19,20,21,22)
InChIKeyPKRNJXHUHCCUKV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.57
Rot. Bonds2

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

4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 66507645) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID66507645
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)c1C
InChIInChI=1S/C18H22N4O/c1-10-6-5-7-12(11(10)2)20-17-21-13-8-18(3,4)9-14(23)15(13)16(19)22-17/h5-7H,8-9H2,1-4H3,(H3,19,20,21,22)
InChIKeyPKRNJXHUHCCUKV-UHFFFAOYSA-N
XLogP3.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318632
3-(2,3-dimethylanilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 30327167
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321428
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
2-(2,3-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62091839
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
CID 30320686
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 66507645) is 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is Cc1cccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)c1C.
What is the InChIKey of 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is PKRNJXHUHCCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-10-6-5-7-12(11(10)2)20-17-21-13-8-18(3,4)9-14(23)15(13)16(19)22-17/h5-7H,8-9H2,1-4H3,(H3,19,20,21,22).
What are the key properties of 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 310.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 66507645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).