2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine

C35H36N6O2 — CID 159938452

IUPAC2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine
SMILESCOc1ccc(C)cc1-c1nc(N(C)C)c2ccccc2n1.Cc1ccc(O)c(-c2nc(N(C)C)c3ccccc3n2)c1
InChIInChI=1S/C18H19N3O.C17H17N3O/c1-12-9-10-16(22-4)14(11-12)17-19-15-8-6-5-7-13(15)18(20-17)21(2)3;1-11-8-9-15(21)13(10-11)16-18-14-7-5-4-6-12(14)17(19-16)20(2)3/h5-11H,1-4H3;4-10,21H,1-3H3
InChIKeyOAOIDEYEPOBXGF-UHFFFAOYSA-N
MW572.71 g/mol
LogP7.06
Rot. Bonds5

About 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine

2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine (PubChem CID 159938452) has the molecular formula C35H36N6O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine
PubChem CID159938452
Molecular FormulaC35H36N6O2
Molecular Weight572.71 g/mol
Exact Mass572.29
IUPAC Name2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine
SMILESCOc1ccc(C)cc1-c1nc(N(C)C)c2ccccc2n1.Cc1ccc(O)c(-c2nc(N(C)C)c3ccccc3n2)c1
InChIInChI=1S/C18H19N3O.C17H17N3O/c1-12-9-10-16(22-4)14(11-12)17-19-15-8-6-5-7-13(15)18(20-17)21(2)3;1-11-8-9-15(21)13(10-11)16-18-14-7-5-4-6-12(14)17(19-16)20(2)3/h5-11H,1-4H3;4-10,21H,1-3H3
InChIKeyOAOIDEYEPOBXGF-UHFFFAOYSA-N
XLogP7.06
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
2-(4-methoxyquinazolin-2-yl)phenol
CID 4601327
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 63085689
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
CID 3276050
2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 59213691
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine (CID 159938452) is 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine is COc1ccc(C)cc1-c1nc(N(C)C)c2ccccc2n1.Cc1ccc(O)c(-c2nc(N(C)C)c3ccccc3n2)c1.
What is the InChIKey of 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine?
The InChIKey is OAOIDEYEPOBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.C17H17N3O/c1-12-9-10-16(22-4)14(11-12)17-19-15-8-6-5-7-13(15)18(20-17)21(2)3;1-11-8-9-15(21)13(10-11)16-18-14-7-5-4-6-12(14)17(19-16)20(2)3/h5-11H,1-4H3;4-10,21H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine?
2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine has a molecular weight of 572.71 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)quinazolin-2-yl]-4-methylphenol;2-(2-methoxy-5-methylphenyl)-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 159938452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).