2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine

C20H22ClN4O+ — CID 7144657

IUPAC2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1nc(NCC[NH+]2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H21ClN4O/c21-17-7-3-1-5-15(17)20-23-18-8-4-2-6-16(18)19(24-20)22-9-10-25-11-13-26-14-12-25/h1-8H,9-14H2,(H,22,23,24)/p+1
InChIKeyPFGNAHWXWSMBLS-UHFFFAOYSA-O
MW369.88 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine

2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine (PubChem CID 7144657) has the molecular formula C20H22ClN4O+ and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine
PubChem CID7144657
Molecular FormulaC20H22ClN4O+
Molecular Weight369.88 g/mol
Exact Mass369.15
IUPAC Name2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1nc(NCC[NH+]2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H21ClN4O/c21-17-7-3-1-5-15(17)20-23-18-8-4-2-6-16(18)19(24-20)22-9-10-25-11-13-26-14-12-25/h1-8H,9-14H2,(H,22,23,24)/p+1
InChIKeyPFGNAHWXWSMBLS-UHFFFAOYSA-O
XLogP2.28
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine (CID 7144657) is 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine is Clc1ccccc1-c1nc(NCC[NH+]2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine?
The InChIKey is PFGNAHWXWSMBLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21ClN4O/c21-17-7-3-1-5-15(17)20-23-18-8-4-2-6-16(18)19(24-20)22-9-10-25-11-13-26-14-12-25/h1-8H,9-14H2,(H,22,23,24)/p+1.
What are the key properties of 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine?
2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine has a molecular weight of 369.88 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 7144657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).