6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine

C24H21N3O — CID 90936234

IUPAC6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
SMILESc1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27)
InChIKeyCENHJAADESPMHW-UHFFFAOYSA-N
MW367.45 g/mol
LogP6.43
Rot. Bonds5

About 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine

6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine (PubChem CID 90936234) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
PubChem CID90936234
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
SMILESc1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27)
InChIKeyCENHJAADESPMHW-UHFFFAOYSA-N
XLogP6.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-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-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91241125
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 59758147
6-phenoxyquinazolin-2-amine
CID 151514344
4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
CID 58082649
N-[4-[2-(azepan-2-yl)ethoxy]phenyl]-6-(2-chlorophenyl)quinazolin-2-amine
CID 141273192
N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
CID 116974942
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599
1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
CID 67698095
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The IUPAC name of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine (CID 90936234) is 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine is c1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1.
What is the InChIKey of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The InChIKey is CENHJAADESPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27).
What are the key properties of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine has a molecular weight of 367.45 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 90936234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).