N-[1-(furan-2-yl)ethyl]cinnolin-4-amine

C14H13N3O — CID 55213775

IUPACN-[1-(furan-2-yl)ethyl]cinnolin-4-amine
SMILESCC(Nc1cnnc2ccccc12)c1ccco1
InChIInChI=1S/C14H13N3O/c1-10(14-7-4-8-18-14)16-13-9-15-17-12-6-3-2-5-11(12)13/h2-10H,1H3,(H,16,17)
InChIKeyZCQDYOSNLNZDGE-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]cinnolin-4-amine

N-[1-(furan-2-yl)ethyl]cinnolin-4-amine (PubChem CID 55213775) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]cinnolin-4-amine
PubChem CID55213775
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[1-(furan-2-yl)ethyl]cinnolin-4-amine
SMILESCC(Nc1cnnc2ccccc12)c1ccco1
InChIInChI=1S/C14H13N3O/c1-10(14-7-4-8-18-14)16-13-9-15-17-12-6-3-2-5-11(12)13/h2-10H,1H3,(H,16,17)
InChIKeyZCQDYOSNLNZDGE-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-ylcinnolin-4-amine
CID 39733520
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
CID 63587506
N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
CID 63587516
N-methylcinnolin-4-amine
CID 6412705
2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
CID 79246033
3-(cinnolin-4-ylamino)butan-1-ol
CID 83187349
N-hexan-2-ylcinnolin-4-amine
CID 63586030
2-(cinnolin-4-ylamino)-3-methylbutanoic acid
CID 63587102
N-(4-methoxybutan-2-yl)cinnolin-4-amine
CID 64605696
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-[1-(cinnolin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375282
methyl 3-(cinnolin-4-ylamino)butanoate
CID 114283867

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]cinnolin-4-amine (CID 55213775) is N-[1-(furan-2-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]cinnolin-4-amine is CC(Nc1cnnc2ccccc12)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]cinnolin-4-amine?
The InChIKey is ZCQDYOSNLNZDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(14-7-4-8-18-14)16-13-9-15-17-12-6-3-2-5-11(12)13/h2-10H,1H3,(H,16,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]cinnolin-4-amine?
N-[1-(furan-2-yl)ethyl]cinnolin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 55213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).