3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one

C30H25N7O — CID 10458615

IUPAC3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3nccn3CCNCc3ccccn3)cc2)n1-c1ccccn1
InChIInChI=1S/C30H25N7O/c38-30-25-8-1-2-9-26(25)35-29(37(30)27-10-4-6-16-33-27)23-13-11-22(12-14-23)28-34-18-20-36(28)19-17-31-21-24-7-3-5-15-32-24/h1-16,18,20,31H,17,19,21H2
InChIKeyNXKQKOOMIIKGPO-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.50
Rot. Bonds8

About 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one

3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one (PubChem CID 10458615) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one
PubChem CID10458615
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC Name3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3nccn3CCNCc3ccccn3)cc2)n1-c1ccccn1
InChIInChI=1S/C30H25N7O/c38-30-25-8-1-2-9-26(25)35-29(37(30)27-10-4-6-16-33-27)23-13-11-22(12-14-23)28-34-18-20-36(28)19-17-31-21-24-7-3-5-15-32-24/h1-16,18,20,31H,17,19,21H2
InChIKeyNXKQKOOMIIKGPO-UHFFFAOYSA-N
XLogP4.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one?
The IUPAC name of 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one (CID 10458615) is 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(-c3nccn3CCNCc3ccccn3)cc2)n1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one?
The InChIKey is NXKQKOOMIIKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c38-30-25-8-1-2-9-26(25)35-29(37(30)27-10-4-6-16-33-27)23-13-11-22(12-14-23)28-34-18-20-36(28)19-17-31-21-24-7-3-5-15-32-24/h1-16,18,20,31H,17,19,21H2.
What are the key properties of 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one?
3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one has a molecular weight of 499.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one is sourced from PubChem (CID 10458615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).