4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine

C20H19N3O — CID 71191881

IUPAC4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine
SMILESCOc1ccccc1-c1c(N)c(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C20H19N3O/c1-24-16-9-5-4-8-14(16)17-15-11-10-12-6-2-3-7-13(12)19(15)23-20(22)18(17)21/h2-9H,10-11,21H2,1H3,(H2,22,23)
InChIKeyNNOXCAXXBQAMFB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.69
Rot. Bonds2

About 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine

4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine (PubChem CID 71191881) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine
PubChem CID71191881
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine
SMILESCOc1ccccc1-c1c(N)c(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C20H19N3O/c1-24-16-9-5-4-8-14(16)17-15-11-10-12-6-2-3-7-13(12)19(15)23-20(22)18(17)21/h2-9H,10-11,21H2,1H3,(H2,22,23)
InChIKeyNNOXCAXXBQAMFB-UHFFFAOYSA-N
XLogP3.69
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine?
The IUPAC name of 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine (CID 71191881) is 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine?
The canonical SMILES for 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine is COc1ccccc1-c1c(N)c(N)nc2c1CCc1ccccc1-2.
What is the InChIKey of 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine?
The InChIKey is NNOXCAXXBQAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-24-16-9-5-4-8-14(16)17-15-11-10-12-6-2-3-7-13(12)19(15)23-20(22)18(17)21/h2-9H,10-11,21H2,1H3,(H2,22,23).
What are the key properties of 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine?
4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine has a molecular weight of 317.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine is sourced from PubChem (CID 71191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).