N-naphthalen-2-ylquinazolin-4-amine

C18H13N3 — CID 110434772

IUPACN-naphthalen-2-ylquinazolin-4-amine
SMILESc1ccc2cc(Nc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C18H13N3/c1-2-6-14-11-15(10-9-13(14)5-1)21-18-16-7-3-4-8-17(16)19-12-20-18/h1-12H,(H,19,20,21)
InChIKeyBKQLGGFLTQFNMF-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.53
Rot. Bonds2

About N-naphthalen-2-ylquinazolin-4-amine

N-naphthalen-2-ylquinazolin-4-amine (PubChem CID 110434772) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-naphthalen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-ylquinazolin-4-amine
PubChem CID110434772
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC NameN-naphthalen-2-ylquinazolin-4-amine
SMILESc1ccc2cc(Nc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C18H13N3/c1-2-6-14-11-15(10-9-13(14)5-1)21-18-16-7-3-4-8-17(16)19-12-20-18/h1-12H,(H,19,20,21)
InChIKeyBKQLGGFLTQFNMF-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylquinazolin-4-amine?
The IUPAC name of N-naphthalen-2-ylquinazolin-4-amine (CID 110434772) is N-naphthalen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-naphthalen-2-ylquinazolin-4-amine?
The canonical SMILES for N-naphthalen-2-ylquinazolin-4-amine is c1ccc2cc(Nc3ncnc4ccccc34)ccc2c1.
What is the InChIKey of N-naphthalen-2-ylquinazolin-4-amine?
The InChIKey is BKQLGGFLTQFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-14-11-15(10-9-13(14)5-1)21-18-16-7-3-4-8-17(16)19-12-20-18/h1-12H,(H,19,20,21).
What are the key properties of N-naphthalen-2-ylquinazolin-4-amine?
N-naphthalen-2-ylquinazolin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylquinazolin-4-amine is sourced from PubChem (CID 110434772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).