N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine

C23H16N4 — CID 921313

IUPACN-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc2c(Nc3nc(-c4ccncc4)nc4ccccc34)cccc2c1
InChIInChI=1S/C23H16N4/c1-2-8-18-16(6-1)7-5-11-20(18)26-23-19-9-3-4-10-21(19)25-22(27-23)17-12-14-24-15-13-17/h1-15H,(H,25,26,27)
InChIKeyZDRLMGROXGXIIM-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.59
Rot. Bonds3

About N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine

N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 921313) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine
PubChem CID921313
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC NameN-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc2c(Nc3nc(-c4ccncc4)nc4ccccc34)cccc2c1
InChIInChI=1S/C23H16N4/c1-2-8-18-16(6-1)7-5-11-20(18)26-23-19-9-3-4-10-21(19)25-22(27-23)17-12-14-24-15-13-17/h1-15H,(H,25,26,27)
InChIKeyZDRLMGROXGXIIM-UHFFFAOYSA-N
XLogP5.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine (CID 921313) is N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine is c1ccc2c(Nc3nc(-c4ccncc4)nc4ccccc34)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is ZDRLMGROXGXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-2-8-18-16(6-1)7-5-11-20(18)26-23-19-9-3-4-10-21(19)25-22(27-23)17-12-14-24-15-13-17/h1-15H,(H,25,26,27).
What are the key properties of N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine?
N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 921313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).