2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine

C14H12ClN3O2 — CID 174270619

IUPAC2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine
SMILESCOc1nccc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C14H12ClN3O2/c1-19-14-13-10(4-5-16-14)11(7-12(15)18-13)17-8-9-3-2-6-20-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQHQFXELHAGFGAH-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine

2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine (PubChem CID 174270619) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine
PubChem CID174270619
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine
SMILESCOc1nccc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C14H12ClN3O2/c1-19-14-13-10(4-5-16-14)11(7-12(15)18-13)17-8-9-3-2-6-20-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQHQFXELHAGFGAH-UHFFFAOYSA-N
XLogP3.50
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
CID 154681219
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine (CID 174270619) is 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine is COc1nccc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine?
The InChIKey is QHQFXELHAGFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-14-13-10(4-5-16-14)11(7-12(15)18-13)17-8-9-3-2-6-20-9/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine?
2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine has a molecular weight of 289.72 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-1,7-naphthyridin-4-amine is sourced from PubChem (CID 174270619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).