N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride

C36H37ClN6O2 — CID 121377347

IUPACN-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(C(CNc2nc(-c3ccc4nccn4c3)nc3cc(OCCCN4CCOCC4)ccc23)c2ccccc2)cc1
InChIInChI=1S/C36H36N6O2.ClH/c1-3-8-27(9-4-1)32(28-10-5-2-6-11-28)25-38-36-31-14-13-30(44-21-7-17-41-19-22-43-23-20-41)24-33(31)39-35(40-36)29-12-15-34-37-16-18-42(34)26-29;/h1-6,8-16,18,24,26,32H,7,17,19-23,25H2,(H,38,39,40);1H
InChIKeyMJPDIFVYFVQPLK-UHFFFAOYSA-N
MW621.19 g/mol
LogP6.71
Rot. Bonds11

About N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride

N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride (PubChem CID 121377347) has the molecular formula C36H37ClN6O2 and a molecular weight of 621.19 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride
PubChem CID121377347
Molecular FormulaC36H37ClN6O2
Molecular Weight621.19 g/mol
Exact Mass620.27
IUPAC NameN-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(C(CNc2nc(-c3ccc4nccn4c3)nc3cc(OCCCN4CCOCC4)ccc23)c2ccccc2)cc1
InChIInChI=1S/C36H36N6O2.ClH/c1-3-8-27(9-4-1)32(28-10-5-2-6-11-28)25-38-36-31-14-13-30(44-21-7-17-41-19-22-43-23-20-41)24-33(31)39-35(40-36)29-12-15-34-37-16-18-42(34)26-29;/h1-6,8-16,18,24,26,32H,7,17,19-23,25H2,(H,38,39,40);1H
InChIKeyMJPDIFVYFVQPLK-UHFFFAOYSA-N
XLogP6.71
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.19
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride (CID 121377347) is N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride is Cl.c1ccc(C(CNc2nc(-c3ccc4nccn4c3)nc3cc(OCCCN4CCOCC4)ccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride?
The InChIKey is MJPDIFVYFVQPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O2.ClH/c1-3-8-27(9-4-1)32(28-10-5-2-6-11-28)25-38-36-31-14-13-30(44-21-7-17-41-19-22-43-23-20-41)24-33(31)39-35(40-36)29-12-15-34-37-16-18-42(34)26-29;/h1-6,8-16,18,24,26,32H,7,17,19-23,25H2,(H,38,39,40);1H.
What are the key properties of N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride?
N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride has a molecular weight of 621.19 g/mol, XLogP of 6.71, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-imidazo[1,2-a]pyridin-6-yl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 121377347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).