N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine

C20H18N4 — CID 9120377

IUPACN-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESc1ccc2c(NCCNc3ncnc4ccccc34)cccc2c1
InChIInChI=1S/C20H18N4/c1-2-8-16-15(6-1)7-5-11-18(16)21-12-13-22-20-17-9-3-4-10-19(17)23-14-24-20/h1-11,14,21H,12-13H2,(H,22,23,24)
InChIKeyZSWYDLRNSXQGDL-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.31
Rot. Bonds5

About N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine

N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine (PubChem CID 9120377) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine
PubChem CID9120377
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESc1ccc2c(NCCNc3ncnc4ccccc34)cccc2c1
InChIInChI=1S/C20H18N4/c1-2-8-16-15(6-1)7-5-11-18(16)21-12-13-22-20-17-9-3-4-10-19(17)23-14-24-20/h1-11,14,21H,12-13H2,(H,22,23,24)
InChIKeyZSWYDLRNSXQGDL-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine?
The IUPAC name of N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine (CID 9120377) is N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine?
The canonical SMILES for N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine is c1ccc2c(NCCNc3ncnc4ccccc34)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine?
The InChIKey is ZSWYDLRNSXQGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-8-16-15(6-1)7-5-11-18(16)21-12-13-22-20-17-9-3-4-10-19(17)23-14-24-20/h1-11,14,21H,12-13H2,(H,22,23,24).
What are the key properties of N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine?
N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine has a molecular weight of 314.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 9120377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).