N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine

C22H20N4O2 — CID 71583043

IUPACN-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-27-12-13-28-20-5-3-19(4-6-20)25-22-24-15-18-14-17(2-7-21(18)26-22)16-8-10-23-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,24,25,26)
InChIKeyANDINJSVEXTMCP-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.46
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine

N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine (PubChem CID 71583043) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine
PubChem CID71583043
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-27-12-13-28-20-5-3-19(4-6-20)25-22-24-15-18-14-17(2-7-21(18)26-22)16-8-10-23-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,24,25,26)
InChIKeyANDINJSVEXTMCP-UHFFFAOYSA-N
XLogP4.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine (CID 71583043) is N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine is COCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The InChIKey is ANDINJSVEXTMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-12-13-28-20-5-3-19(4-6-20)25-22-24-15-18-14-17(2-7-21(18)26-22)16-8-10-23-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine?
N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-6-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 71583043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).