2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol

C16H20ClN3O2 — CID 165380828

IUPAC2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
SMILESCC(C)(NCCO)c1cnc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3O2/c1-16(2,20-5-6-21)13-9-19-15(22-10-3-4-10)12-8-18-14(17)7-11(12)13/h7-10,20-21H,3-6H2,1-2H3
InChIKeyUBRSBJOYGOIMOC-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol

2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol (PubChem CID 165380828) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
PubChem CID165380828
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
SMILESCC(C)(NCCO)c1cnc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3O2/c1-16(2,20-5-6-21)13-9-19-15(22-10-3-4-10)12-8-18-14(17)7-11(12)13/h7-10,20-21H,3-6H2,1-2H3
InChIKeyUBRSBJOYGOIMOC-UHFFFAOYSA-N
XLogP2.64
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
CID 166484349
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483706
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 165117838
methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate
CID 166506492
[3-[[4-(2-azidobutan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 167211971
4-[(1S)-1-azido-1-cyclopropylethyl]-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483456
4-(1-azido-1-cyclopropylethyl)-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483602
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol (CID 165380828) is 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol is CC(C)(NCCO)c1cnc(OC2CC2)c2cnc(Cl)cc12.
What is the InChIKey of 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol?
The InChIKey is UBRSBJOYGOIMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-16(2,20-5-6-21)13-9-19-15(22-10-3-4-10)12-8-18-14(17)7-11(12)13/h7-10,20-21H,3-6H2,1-2H3.
What are the key properties of 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol?
2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol has a molecular weight of 321.81 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 165380828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).