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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Related Compounds

4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
CID 113485505
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628814
4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
CID 103963223
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-[(5-methylpyrazin-2-yl)methyl]quinoline-3,4-diamine
CID 103963247

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).