4-N-(1-methylcyclobutyl)quinoline-3,4-diamine

C14H17N3 — CID 113485310

IUPAC4-N-(1-methylcyclobutyl)quinoline-3,4-diamine
SMILESCC1(Nc2c(N)cnc3ccccc23)CCC1
InChIInChI=1S/C14H17N3/c1-14(7-4-8-14)17-13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17)
InChIKeyQJDRQQOQGIPDBS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.17
Rot. Bonds2

About 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine

4-N-(1-methylcyclobutyl)quinoline-3,4-diamine (PubChem CID 113485310) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclobutyl)quinoline-3,4-diamine
PubChem CID113485310
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-(1-methylcyclobutyl)quinoline-3,4-diamine
SMILESCC1(Nc2c(N)cnc3ccccc23)CCC1
InChIInChI=1S/C14H17N3/c1-14(7-4-8-14)17-13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17)
InChIKeyQJDRQQOQGIPDBS-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine (CID 113485310) is 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine is CC1(Nc2c(N)cnc3ccccc23)CCC1.
What is the InChIKey of 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine?
The InChIKey is QJDRQQOQGIPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(7-4-8-14)17-13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17).
What are the key properties of 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine?
4-N-(1-methylcyclobutyl)quinoline-3,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylcyclobutyl)quinoline-3,4-diamine is sourced from PubChem (CID 113485310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).