5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine

C20H18N4 — CID 588277

IUPAC5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(CCc3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C20H18N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12H,9,11H2,(H4,21,22,23,24)
InChIKeyOICSWALALWBGPH-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.73
Rot. Bonds3

About 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine

5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine (PubChem CID 588277) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine
PubChem CID588277
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(CCc3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C20H18N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12H,9,11H2,(H4,21,22,23,24)
InChIKeyOICSWALALWBGPH-UHFFFAOYSA-N
XLogP3.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine?
The IUPAC name of 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine (CID 588277) is 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine is Nc1nc(N)c2c(CCc3ccc4ccccc4c3)cccc2n1.
What is the InChIKey of 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine?
The InChIKey is OICSWALALWBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12H,9,11H2,(H4,21,22,23,24).
What are the key properties of 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine?
5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-naphthalen-2-ylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 588277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).