4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine

C13H17N3O — CID 113359409

IUPAC4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
SMILESCOCCN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-16(7-8-17-2)13-10-5-3-4-6-12(10)15-9-11(13)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyUMQZJSWEJWEOGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds4

About 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine

4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine (PubChem CID 113359409) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
PubChem CID113359409
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
SMILESCOCCN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-16(7-8-17-2)13-10-5-3-4-6-12(10)15-9-11(13)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyUMQZJSWEJWEOGO-UHFFFAOYSA-N
XLogP1.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
CID 103962995
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine (CID 113359409) is 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine is COCCN(C)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine?
The InChIKey is UMQZJSWEJWEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(7-8-17-2)13-10-5-3-4-6-12(10)15-9-11(13)14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine?
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine is sourced from PubChem (CID 113359409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).