6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine

C26H26N4O — CID 163591913

IUPAC6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(CC=C(C)C)cc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C26H26N4O/c1-17(2)10-11-19-13-21(18-7-5-9-22(14-18)31-4)15-23-24(19)29-25(30-26(23)27-3)20-8-6-12-28-16-20/h5-10,12-16H,11H2,1-4H3,(H,27,29,30)
InChIKeyGQFAHVHGKWXHKL-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.92
Rot. Bonds6

About 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine

6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 163591913) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID163591913
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(CC=C(C)C)cc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C26H26N4O/c1-17(2)10-11-19-13-21(18-7-5-9-22(14-18)31-4)15-23-24(19)29-25(30-26(23)27-3)20-8-6-12-28-16-20/h5-10,12-16H,11H2,1-4H3,(H,27,29,30)
InChIKeyGQFAHVHGKWXHKL-UHFFFAOYSA-N
XLogP5.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-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

6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 71151557
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
formamide;6-(3-methoxyphenyl)-N-propyl-2-pyridin-3-ylquinazolin-4-amine
CID 144500701
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine (CID 163591913) is 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2c(CC=C(C)C)cc(-c3cccc(OC)c3)cc12.
What is the InChIKey of 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is GQFAHVHGKWXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-17(2)10-11-19-13-21(18-7-5-9-22(14-18)31-4)15-23-24(19)29-25(30-26(23)27-3)20-8-6-12-28-16-20/h5-10,12-16H,11H2,1-4H3,(H,27,29,30).
What are the key properties of 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine?
6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 410.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-methyl-8-(3-methylbut-2-enyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 163591913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).