N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine

C31H24N4 — CID 121377287

IUPACN-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3cccc4cccnc34)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C31H24N4/c1-3-11-22(12-4-1)27(23-13-5-2-6-14-23)21-33-30-25-17-7-8-19-28(25)34-31(35-30)26-18-9-15-24-16-10-20-32-29(24)26/h1-20,27H,21H2,(H,33,34,35)
InChIKeyIMSHYYJKZYWVKJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.09
Rot. Bonds6

About N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine

N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine (PubChem CID 121377287) has the molecular formula C31H24N4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
PubChem CID121377287
Molecular FormulaC31H24N4
Molecular Weight452.56 g/mol
Exact Mass452.20
IUPAC NameN-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3cccc4cccnc34)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C31H24N4/c1-3-11-22(12-4-1)27(23-13-5-2-6-14-23)21-33-30-25-17-7-8-19-28(25)34-31(35-30)26-18-9-15-24-16-10-20-32-29(24)26/h1-20,27H,21H2,(H,33,34,35)
InChIKeyIMSHYYJKZYWVKJ-UHFFFAOYSA-N
XLogP7.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-2-(2-methylisoindol-4-yl)quinazolin-4-amine
CID 121388227
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
CID 121377267
2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
CID 121377264
N-[3-chloro-4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378083
N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
CID 121378090
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine (CID 121377287) is N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine is c1ccc(C(CNc2nc(-c3cccc4cccnc34)nc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine?
The InChIKey is IMSHYYJKZYWVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4/c1-3-11-22(12-4-1)27(23-13-5-2-6-14-23)21-33-30-25-17-7-8-19-28(25)34-31(35-30)26-18-9-15-24-16-10-20-32-29(24)26/h1-20,27H,21H2,(H,33,34,35).
What are the key properties of N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine?
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine has a molecular weight of 452.56 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine is sourced from PubChem (CID 121377287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).