N-benzyl-2-pyridin-3-ylquinazolin-4-amine

C20H16N4 — CID 667555

IUPACN-benzyl-2-pyridin-3-ylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
InChIKeyAELMNLIYFALJIR-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.30
Rot. Bonds4

About N-benzyl-2-pyridin-3-ylquinazolin-4-amine

N-benzyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 667555) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-benzyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID667555
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-benzyl-2-pyridin-3-ylquinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
InChIKeyAELMNLIYFALJIR-UHFFFAOYSA-N
XLogP4.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-benzyl-2-pyridin-3-ylquinazolin-4-amine (CID 667555) is N-benzyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-pyridin-3-ylquinazolin-4-amine is c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AELMNLIYFALJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24).
What are the key properties of N-benzyl-2-pyridin-3-ylquinazolin-4-amine?
N-benzyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 667555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).