N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine

C16H16ClN3O — CID 15602936

IUPACN-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccccc1OCCNC1=NCc2ccccc2N1
InChIInChI=1S/C16H16ClN3O/c17-13-6-2-4-8-15(13)21-10-9-18-16-19-11-12-5-1-3-7-14(12)20-16/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyGYKSODDFAAVCNO-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine

N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine (PubChem CID 15602936) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
PubChem CID15602936
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccccc1OCCNC1=NCc2ccccc2N1
InChIInChI=1S/C16H16ClN3O/c17-13-6-2-4-8-15(13)21-10-9-18-16-19-11-12-5-1-3-7-14(12)20-16/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyGYKSODDFAAVCNO-UHFFFAOYSA-N
XLogP3.29
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine (CID 15602936) is N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine is Clc1ccccc1OCCNC1=NCc2ccccc2N1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The InChIKey is GYKSODDFAAVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-6-2-4-8-15(13)21-10-9-18-16-19-11-12-5-1-3-7-14(12)20-16/h1-8H,9-11H2,(H2,18,19,20).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 15602936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).