3-N-(1-phenylpropyl)quinoxaline-2,3-diamine

C17H18N4 — CID 102984207

IUPAC3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
SMILESCCC(Nc1nc2ccccc2nc1N)c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-13(12-8-4-3-5-9-12)20-17-16(18)19-14-10-6-7-11-15(14)21-17/h3-11,13H,2H2,1H3,(H2,18,19)(H,20,21)
InChIKeyGBKUFPIZAJJATQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds4

About 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine

3-N-(1-phenylpropyl)quinoxaline-2,3-diamine (PubChem CID 102984207) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
PubChem CID102984207
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
SMILESCCC(Nc1nc2ccccc2nc1N)c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-13(12-8-4-3-5-9-12)20-17-16(18)19-14-10-6-7-11-15(14)21-17/h3-11,13H,2H2,1H3,(H2,18,19)(H,20,21)
InChIKeyGBKUFPIZAJJATQ-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
CID 63760548
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
3-N-(1-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66276469
5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine (CID 102984207) is 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine is CCC(Nc1nc2ccccc2nc1N)c1ccccc1.
What is the InChIKey of 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine?
The InChIKey is GBKUFPIZAJJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-13(12-8-4-3-5-9-12)20-17-16(18)19-14-10-6-7-11-15(14)21-17/h3-11,13H,2H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine?
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-phenylpropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102984207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).