4-N-naphthalen-1-ylquinazoline-4,6-diamine

C18H14N4 — CID 15159399

IUPAC4-N-naphthalen-1-ylquinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H14N4/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,19H2,(H,20,21,22)
InChIKeyGGMNAQQTDNPMDP-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.11
Rot. Bonds2

About 4-N-naphthalen-1-ylquinazoline-4,6-diamine

4-N-naphthalen-1-ylquinazoline-4,6-diamine (PubChem CID 15159399) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-naphthalen-1-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-ylquinazoline-4,6-diamine
PubChem CID15159399
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-N-naphthalen-1-ylquinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H14N4/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,19H2,(H,20,21,22)
InChIKeyGGMNAQQTDNPMDP-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-ylquinazoline-4,6-diamine?
The IUPAC name of 4-N-naphthalen-1-ylquinazoline-4,6-diamine (CID 15159399) is 4-N-naphthalen-1-ylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-naphthalen-1-ylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-naphthalen-1-ylquinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1.
What is the InChIKey of 4-N-naphthalen-1-ylquinazoline-4,6-diamine?
The InChIKey is GGMNAQQTDNPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,19H2,(H,20,21,22).
What are the key properties of 4-N-naphthalen-1-ylquinazoline-4,6-diamine?
4-N-naphthalen-1-ylquinazoline-4,6-diamine has a molecular weight of 286.34 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-1-ylquinazoline-4,6-diamine is sourced from PubChem (CID 15159399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).