4-N-(2-aminoethyl)quinoline-3,4-diamine

C11H14N4 — CID 103963227

IUPAC4-N-(2-aminoethyl)quinoline-3,4-diamine
SMILESNCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C11H14N4/c12-5-6-14-11-8-3-1-2-4-10(8)15-7-9(11)13/h1-4,7H,5-6,12-13H2,(H,14,15)
InChIKeyQRVXEFRRCAHUGQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.19
Rot. Bonds3

About 4-N-(2-aminoethyl)quinoline-3,4-diamine

4-N-(2-aminoethyl)quinoline-3,4-diamine (PubChem CID 103963227) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)quinoline-3,4-diamine
PubChem CID103963227
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-N-(2-aminoethyl)quinoline-3,4-diamine
SMILESNCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C11H14N4/c12-5-6-14-11-8-3-1-2-4-10(8)15-7-9(11)13/h1-4,7H,5-6,12-13H2,(H,14,15)
InChIKeyQRVXEFRRCAHUGQ-UHFFFAOYSA-N
XLogP1.19
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
CID 103963489
4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
CID 106394501
4-N-(5-phenylsulfanylpentyl)quinoline-3,4-diamine
CID 86588279
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)quinoline-3,4-diamine (CID 103963227) is 4-N-(2-aminoethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)quinoline-3,4-diamine is NCCNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-aminoethyl)quinoline-3,4-diamine?
The InChIKey is QRVXEFRRCAHUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-5-6-14-11-8-3-1-2-4-10(8)15-7-9(11)13/h1-4,7H,5-6,12-13H2,(H,14,15).
What are the key properties of 4-N-(2-aminoethyl)quinoline-3,4-diamine?
4-N-(2-aminoethyl)quinoline-3,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).