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

C13H15N3 — CID 103963223

IUPAC4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
SMILESCC1CC1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C13H15N3/c1-8-6-12(8)16-13-9-4-2-3-5-11(9)15-7-10(13)14/h2-5,7-8,12H,6,14H2,1H3,(H,15,16)
InChIKeyRWMSOQLPFUJGHD-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.64
Rot. Bonds2

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

4-N-(2-methylcyclopropyl)quinoline-3,4-diamine (PubChem CID 103963223) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
PubChem CID103963223
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
SMILESCC1CC1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C13H15N3/c1-8-6-12(8)16-13-9-4-2-3-5-11(9)15-7-10(13)14/h2-5,7-8,12H,6,14H2,1H3,(H,15,16)
InChIKeyRWMSOQLPFUJGHD-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine (CID 103963223) is 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine is CC1CC1Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine?
The InChIKey is RWMSOQLPFUJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-6-12(8)16-13-9-4-2-3-5-11(9)15-7-10(13)14/h2-5,7-8,12H,6,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine?
4-N-(2-methylcyclopropyl)quinoline-3,4-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylcyclopropyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).