N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine

C20H23N3O2 — CID 86910075

IUPACN-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
SMILESCOCCOCCCNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H23N3O2/c1-24-14-15-25-13-7-12-21-20-22-18-11-6-5-10-17(18)19(23-20)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,22,23)
InChIKeyGAKLPJXXDGHTBY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.76
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine

N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine (PubChem CID 86910075) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
PubChem CID86910075
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
SMILESCOCCOCCCNc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H23N3O2/c1-24-14-15-25-13-7-12-21-20-22-18-11-6-5-10-17(18)19(23-20)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,22,23)
InChIKeyGAKLPJXXDGHTBY-UHFFFAOYSA-N
XLogP3.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine (CID 86910075) is N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine is COCCOCCCNc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine?
The InChIKey is GAKLPJXXDGHTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-24-14-15-25-13-7-12-21-20-22-18-11-6-5-10-17(18)19(23-20)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,22,23).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine?
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine has a molecular weight of 337.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 86910075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).