4-N-benzyl-4-N-ethylquinazoline-4,7-diamine

C17H18N4 — CID 65336807

IUPAC4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
SMILESCCN(Cc1ccccc1)c1ncnc2cc(N)ccc12
InChIInChI=1S/C17H18N4/c1-2-21(11-13-6-4-3-5-7-13)17-15-9-8-14(18)10-16(15)19-12-20-17/h3-10,12H,2,11,18H2,1H3
InChIKeyKSPRDHOHCJUJCG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.24
Rot. Bonds4

About 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine

4-N-benzyl-4-N-ethylquinazoline-4,7-diamine (PubChem CID 65336807) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
PubChem CID65336807
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
SMILESCCN(Cc1ccccc1)c1ncnc2cc(N)ccc12
InChIInChI=1S/C17H18N4/c1-2-21(11-13-6-4-3-5-7-13)17-15-9-8-14(18)10-16(15)19-12-20-17/h3-10,12H,2,11,18H2,1H3
InChIKeyKSPRDHOHCJUJCG-UHFFFAOYSA-N
XLogP3.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-benzyl-4-N-ethylquinazoline-4,7-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine (CID 65336807) is 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine is CCN(Cc1ccccc1)c1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine?
The InChIKey is KSPRDHOHCJUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-21(11-13-6-4-3-5-7-13)17-15-9-8-14(18)10-16(15)19-12-20-17/h3-10,12H,2,11,18H2,1H3.
What are the key properties of 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine?
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethylquinazoline-4,7-diamine is sourced from PubChem (CID 65336807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).