1-[4-(2-aminoethyl)phenyl]quinazolin-4-one

C16H15N3O — CID 82514357

IUPAC1-[4-(2-aminoethyl)phenyl]quinazolin-4-one
SMILESNCCc1ccc(-n2cnc(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c17-10-9-12-5-7-13(8-6-12)19-11-18-16(20)14-3-1-2-4-15(14)19/h1-8,11H,9-10,17H2
InChIKeyTWKYEZODDKMBHQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.89
Rot. Bonds3

About 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one

1-[4-(2-aminoethyl)phenyl]quinazolin-4-one (PubChem CID 82514357) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]quinazolin-4-one
PubChem CID82514357
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[4-(2-aminoethyl)phenyl]quinazolin-4-one
SMILESNCCc1ccc(-n2cnc(=O)c3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c17-10-9-12-5-7-13(8-6-12)19-11-18-16(20)14-3-1-2-4-15(14)19/h1-8,11H,9-10,17H2
InChIKeyTWKYEZODDKMBHQ-UHFFFAOYSA-N
XLogP1.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one (CID 82514357) is 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one is NCCc1ccc(-n2cnc(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one?
The InChIKey is TWKYEZODDKMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-9-12-5-7-13(8-6-12)19-11-18-16(20)14-3-1-2-4-15(14)19/h1-8,11H,9-10,17H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one?
1-[4-(2-aminoethyl)phenyl]quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 82514357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).