N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine

C23H20N4O — CID 134186531

IUPACN-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine
SMILESC=Cc1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)cn1
InChIInChI=1S/C23H20N4O/c1-4-17-12-13-20(15-24-17)28-19-9-7-8-18(14-19)27(3)23-21-10-5-6-11-22(21)25-16(2)26-23/h4-15H,1H2,2-3H3
InChIKeyHBEZICNWGNEWTD-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.54
Rot. Bonds5

About N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine

N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine (PubChem CID 134186531) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine
PubChem CID134186531
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine
SMILESC=Cc1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)cn1
InChIInChI=1S/C23H20N4O/c1-4-17-12-13-20(15-24-17)28-19-9-7-8-18(14-19)27(3)23-21-10-5-6-11-22(21)25-16(2)26-23/h4-15H,1H2,2-3H3
InChIKeyHBEZICNWGNEWTD-UHFFFAOYSA-N
XLogP5.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine (CID 134186531) is N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine is C=Cc1ccc(Oc2cccc(N(C)c3nc(C)nc4ccccc34)c2)cn1.
What is the InChIKey of N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine?
The InChIKey is HBEZICNWGNEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-4-17-12-13-20(15-24-17)28-19-9-7-8-18(14-19)27(3)23-21-10-5-6-11-22(21)25-16(2)26-23/h4-15H,1H2,2-3H3.
What are the key properties of N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine?
N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 134186531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).