N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine

C24H29N3 — CID 146244285

IUPACN-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine
SMILESC=C(C)c1cnc2ccc(N(CCC)c3cc(CC)cc(CC)c3)cc2n1
InChIInChI=1S/C24H29N3/c1-6-11-27(21-13-18(7-2)12-19(8-3)14-21)20-9-10-22-23(15-20)26-24(16-25-22)17(4)5/h9-10,12-16H,4,6-8,11H2,1-3,5H3
InChIKeyPCESDFXECKLUFJ-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.34
Rot. Bonds7

About N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine

N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine (PubChem CID 146244285) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine
PubChem CID146244285
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC NameN-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine
SMILESC=C(C)c1cnc2ccc(N(CCC)c3cc(CC)cc(CC)c3)cc2n1
InChIInChI=1S/C24H29N3/c1-6-11-27(21-13-18(7-2)12-19(8-3)14-21)20-9-10-22-23(15-20)26-24(16-25-22)17(4)5/h9-10,12-16H,4,6-8,11H2,1-3,5H3
InChIKeyPCESDFXECKLUFJ-UHFFFAOYSA-N
XLogP6.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine?
The IUPAC name of N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine (CID 146244285) is N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine.
What is the SMILES notation for N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine?
The canonical SMILES for N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine is C=C(C)c1cnc2ccc(N(CCC)c3cc(CC)cc(CC)c3)cc2n1.
What is the InChIKey of N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine?
The InChIKey is PCESDFXECKLUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-6-11-27(21-13-18(7-2)12-19(8-3)14-21)20-9-10-22-23(15-20)26-24(16-25-22)17(4)5/h9-10,12-16H,4,6-8,11H2,1-3,5H3.
What are the key properties of N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine?
N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine has a molecular weight of 359.52 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethylphenyl)-3-prop-1-en-2-yl-N-propylquinoxalin-6-amine is sourced from PubChem (CID 146244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).