4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine

C16H23N3O2 — CID 103963108

IUPAC4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
SMILESCOCCN(c1c(N)cnc2ccccc12)C(C)COC
InChIInChI=1S/C16H23N3O2/c1-12(11-21-3)19(8-9-20-2)16-13-6-4-5-7-15(13)18-10-14(16)17/h4-7,10,12H,8-9,11,17H2,1-3H3
InChIKeyWMDWHYNRKXPYNG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds7

About 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine (PubChem CID 103963108) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
PubChem CID103963108
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
SMILESCOCCN(c1c(N)cnc2ccccc12)C(C)COC
InChIInChI=1S/C16H23N3O2/c1-12(11-21-3)19(8-9-20-2)16-13-6-4-5-7-15(13)18-10-14(16)17/h4-7,10,12H,8-9,11,17H2,1-3H3
InChIKeyWMDWHYNRKXPYNG-UHFFFAOYSA-N
XLogP2.30
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine (CID 103963108) is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine is COCCN(c1c(N)cnc2ccccc12)C(C)COC.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine?
The InChIKey is WMDWHYNRKXPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(11-21-3)19(8-9-20-2)16-13-6-4-5-7-15(13)18-10-14(16)17/h4-7,10,12H,8-9,11,17H2,1-3H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine?
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine is sourced from PubChem (CID 103963108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).