2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C20H15N5O2 — CID 151099303

IUPAC2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESO=[N+]([O-])c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C20H15N5O2/c26-25(27)20-23-17-11-6-10-16(14-7-2-1-3-8-14)18(17)19(24-20)22-13-15-9-4-5-12-21-15/h1-12H,13H2,(H,22,23,24)
InChIKeyMNTYQNBXAUDFPW-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.21
Rot. Bonds5

About 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 151099303) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID151099303
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESO=[N+]([O-])c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C20H15N5O2/c26-25(27)20-23-17-11-6-10-16(14-7-2-1-3-8-14)18(17)19(24-20)22-13-15-9-4-5-12-21-15/h1-12H,13H2,(H,22,23,24)
InChIKeyMNTYQNBXAUDFPW-UHFFFAOYSA-N
XLogP4.21
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 151099303) is 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is O=[N+]([O-])c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is MNTYQNBXAUDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-25(27)20-23-17-11-6-10-16(14-7-2-1-3-8-14)18(17)19(24-20)22-13-15-9-4-5-12-21-15/h1-12H,13H2,(H,22,23,24).
What are the key properties of 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 357.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 151099303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).