2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine

C31H25N5 — CID 132500565

IUPAC2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3cc2-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C31H25N5/c1-20-11-15-23(16-12-20)32-29-25-8-4-6-10-28(25)35-31(36-29)26-19-22-7-3-5-9-27(22)34-30(26)33-24-17-13-21(2)14-18-24/h3-19H,1-2H3,(H,33,34)(H,32,35,36)
InChIKeyUHAHZDRDNVIEDB-UHFFFAOYSA-N
MW467.58 g/mol
LogP7.95
Rot. Bonds5

About 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine

2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine (PubChem CID 132500565) has the molecular formula C31H25N5 and a molecular weight of 467.58 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
PubChem CID132500565
Molecular FormulaC31H25N5
Molecular Weight467.58 g/mol
Exact Mass467.21
IUPAC Name2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3cc2-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C31H25N5/c1-20-11-15-23(16-12-20)32-29-25-8-4-6-10-28(25)35-31(36-29)26-19-22-7-3-5-9-27(22)34-30(26)33-24-17-13-21(2)14-18-24/h3-19H,1-2H3,(H,33,34)(H,32,35,36)
InChIKeyUHAHZDRDNVIEDB-UHFFFAOYSA-N
XLogP7.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.58
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
2-(3-methylphenyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 22310718
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
3-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 172913760

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine (CID 132500565) is 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine is Cc1ccc(Nc2nc3ccccc3cc2-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is UHAHZDRDNVIEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5/c1-20-11-15-23(16-12-20)32-29-25-8-4-6-10-28(25)35-31(36-29)26-19-22-7-3-5-9-27(22)34-30(26)33-24-17-13-21(2)14-18-24/h3-19H,1-2H3,(H,33,34)(H,32,35,36).
What are the key properties of 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine?
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 467.58 g/mol, XLogP of 7.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 132500565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).