N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine

C27H22N4 — CID 121377208

IUPACN-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3ccncc3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-29-27-23-13-7-8-14-25(23)30-26(31-27)22-15-17-28-18-16-22/h1-18,24H,19H2,(H,29,30,31)
InChIKeyKSGYIICUZHEPBZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.94
Rot. Bonds6

About N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine

N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 121377208) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID121377208
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC NameN-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3ccncc3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C27H22N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-29-27-23-13-7-8-14-25(23)30-26(31-27)22-15-17-28-18-16-22/h1-18,24H,19H2,(H,29,30,31)
InChIKeyKSGYIICUZHEPBZ-UHFFFAOYSA-N
XLogP5.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099
N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
CID 121377267
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
CID 121377287
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine (CID 121377208) is N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine is c1ccc(C(CNc2nc(-c3ccncc3)nc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is KSGYIICUZHEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-29-27-23-13-7-8-14-25(23)30-26(31-27)22-15-17-28-18-16-22/h1-18,24H,19H2,(H,29,30,31).
What are the key properties of N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 402.50 g/mol, XLogP of 5.94, 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-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 121377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).