N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine

C29H23N5 — CID 121377327

IUPACN-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3ccc4cn[nH]c4c3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C29H23N5/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)19-30-29-24-13-7-8-14-26(24)32-28(33-29)22-15-16-23-18-31-34-27(23)17-22/h1-18,25H,19H2,(H,31,34)(H,30,32,33)
InChIKeyLVODNUFHEIWCNK-UHFFFAOYSA-N
MW441.54 g/mol
LogP6.42
Rot. Bonds6

About N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine

N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine (PubChem CID 121377327) has the molecular formula C29H23N5 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
PubChem CID121377327
Molecular FormulaC29H23N5
Molecular Weight441.54 g/mol
Exact Mass441.20
IUPAC NameN-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3ccc4cn[nH]c4c3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C29H23N5/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)19-30-29-24-13-7-8-14-26(24)32-28(33-29)22-15-16-23-18-31-34-27(23)17-22/h1-18,25H,19H2,(H,31,34)(H,30,32,33)
InChIKeyLVODNUFHEIWCNK-UHFFFAOYSA-N
XLogP6.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
CID 121377267
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
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
6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
CID 166920660
N-(2,2-diphenylethyl)-2-(2-methylisoindol-4-yl)quinazolin-4-amine
CID 121388227
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine (CID 121377327) is N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine is c1ccc(C(CNc2nc(-c3ccc4cn[nH]c4c3)nc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine?
The InChIKey is LVODNUFHEIWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)19-30-29-24-13-7-8-14-26(24)32-28(33-29)22-15-16-23-18-31-34-27(23)17-22/h1-18,25H,19H2,(H,31,34)(H,30,32,33).
What are the key properties of N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine?
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine has a molecular weight of 441.54 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine is sourced from PubChem (CID 121377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).