2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine

C18H19N3 — CID 89086853

IUPAC2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(C)N(c1ccccc1N)C1CC=Cc2cccnc21
InChIInChI=1S/C18H19N3/c1-13(2)21(16-10-4-3-9-15(16)19)17-11-5-7-14-8-6-12-20-18(14)17/h3-10,12,17H,1,11,19H2,2H3
InChIKeyKBONQKPQBZLJHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.16
Rot. Bonds3

About 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine

2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine (PubChem CID 89086853) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine
PubChem CID89086853
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(C)N(c1ccccc1N)C1CC=Cc2cccnc21
InChIInChI=1S/C18H19N3/c1-13(2)21(16-10-4-3-9-15(16)19)17-11-5-7-14-8-6-12-20-18(14)17/h3-10,12,17H,1,11,19H2,2H3
InChIKeyKBONQKPQBZLJHE-UHFFFAOYSA-N
XLogP4.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine (CID 89086853) is 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine is C=C(C)N(c1ccccc1N)C1CC=Cc2cccnc21.
What is the InChIKey of 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine?
The InChIKey is KBONQKPQBZLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(2)21(16-10-4-3-9-15(16)19)17-11-5-7-14-8-6-12-20-18(14)17/h3-10,12,17H,1,11,19H2,2H3.
What are the key properties of 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine?
2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,8-dihydroquinolin-8-yl)-2-N-prop-1-en-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 89086853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).