N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine

C18H18ClN4O+ — CID 5096933

IUPACN-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine
SMILESClc1ccc(Nc2nc([NH+]3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17ClN4O/c19-13-5-7-14(8-6-13)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)/p+1
InChIKeyCZTJGYDBSNIXSQ-UHFFFAOYSA-O
MW341.82 g/mol
LogP2.57
Rot. Bonds3

About N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine

N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine (PubChem CID 5096933) has the molecular formula C18H18ClN4O+ and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine
PubChem CID5096933
Molecular FormulaC18H18ClN4O+
Molecular Weight341.82 g/mol
Exact Mass341.12
IUPAC NameN-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine
SMILESClc1ccc(Nc2nc([NH+]3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17ClN4O/c19-13-5-7-14(8-6-13)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)/p+1
InChIKeyCZTJGYDBSNIXSQ-UHFFFAOYSA-O
XLogP2.57
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine (CID 5096933) is N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine is Clc1ccc(Nc2nc([NH+]3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine?
The InChIKey is CZTJGYDBSNIXSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17ClN4O/c19-13-5-7-14(8-6-13)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)/p+1.
What are the key properties of N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine?
N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine has a molecular weight of 341.82 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine is sourced from PubChem (CID 5096933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).