N-pyridin-3-ylquinazolin-4-amine

C13H10N4 — CID 5328017

IUPACN-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C13H10N4/c1-2-6-12-11(5-1)13(16-9-15-12)17-10-4-3-7-14-8-10/h1-9H,(H,15,16,17)
InChIKeyKOQRKDRUVGQCBR-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.77
Rot. Bonds2

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

N-pyridin-3-ylquinazolin-4-amine (PubChem CID 5328017) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-pyridin-3-ylquinazolin-4-amine
PubChem CID5328017
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC NameN-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C13H10N4/c1-2-6-12-11(5-1)13(16-9-15-12)17-10-4-3-7-14-8-10/h1-9H,(H,15,16,17)
InChIKeyKOQRKDRUVGQCBR-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-pyridin-3-ylquinazolin-4-amine (CID 5328017) is N-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-pyridin-3-ylquinazolin-4-amine is c1cncc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-pyridin-3-ylquinazolin-4-amine?
The InChIKey is KOQRKDRUVGQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-6-12-11(5-1)13(16-9-15-12)17-10-4-3-7-14-8-10/h1-9H,(H,15,16,17).
What are the key properties of N-pyridin-3-ylquinazolin-4-amine?
N-pyridin-3-ylquinazolin-4-amine has a molecular weight of 222.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 5328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).