4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one

C24H26N4O — CID 30317104

IUPAC4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(nc(NCCc3ccccc3)nc2Nc2ccccc2)C1
InChIInChI=1S/C24H26N4O/c1-24(2)15-19-21(20(29)16-24)22(26-18-11-7-4-8-12-18)28-23(27-19)25-14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H2,25,26,27,28)
InChIKeyQYUJOZAXZITUSR-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.03
Rot. Bonds6

About 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one

4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one (PubChem CID 30317104) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one
PubChem CID30317104
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(nc(NCCc3ccccc3)nc2Nc2ccccc2)C1
InChIInChI=1S/C24H26N4O/c1-24(2)15-19-21(20(29)16-24)22(26-18-11-7-4-8-12-18)28-23(27-19)25-14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H2,25,26,27,28)
InChIKeyQYUJOZAXZITUSR-UHFFFAOYSA-N
XLogP5.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
4-anilino-7,7-dimethyl-2-phenyl-6,8-dihydroquinazolin-5-one
CID 91378745
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
CID 30320686
4-(4-chloroanilino)-7,7-dimethyl-2-(3-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30320311
(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 41001731
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-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one (CID 30317104) is 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2c(nc(NCCc3ccccc3)nc2Nc2ccccc2)C1.
What is the InChIKey of 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one?
The InChIKey is QYUJOZAXZITUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-24(2)15-19-21(20(29)16-24)22(26-18-11-7-4-8-12-18)28-23(27-19)25-14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one?
4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one has a molecular weight of 386.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30317104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).