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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Related Compounds

4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65336645
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136343
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420

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).