2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

C20H21ClN4O — CID 1182103

IUPAC2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESClc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H21ClN4O/c21-16-5-3-4-15(14-16)19-23-18-7-2-1-6-17(18)20(24-19)22-8-9-25-10-12-26-13-11-25/h1-7,14H,8-13H2,(H,22,23,24)
InChIKeyROCRFSJIQCKSSP-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 1182103) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID1182103
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESClc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H21ClN4O/c21-16-5-3-4-15(14-16)19-23-18-7-2-1-6-17(18)20(24-19)22-8-9-25-10-12-26-13-11-25/h1-7,14H,8-13H2,(H,22,23,24)
InChIKeyROCRFSJIQCKSSP-UHFFFAOYSA-N
XLogP3.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 1182103) is 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is Clc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is ROCRFSJIQCKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-5-3-4-15(14-16)19-23-18-7-2-1-6-17(18)20(24-19)22-8-9-25-10-12-26-13-11-25/h1-7,14H,8-13H2,(H,22,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine has a molecular weight of 368.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 1182103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).