1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one

C17H14Cl2N2O3 — CID 54717823

IUPAC1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
SMILESCC(O)Cc1c(O)c2cccnc2n(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-9(22)7-12-15(23)11-3-2-6-20-16(11)21(17(12)24)10-4-5-13(18)14(19)8-10/h2-6,8-9,22-23H,7H2,1H3
InChIKeyGUBSCLFGBKQPKT-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.32
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one

1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one (PubChem CID 54717823) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
PubChem CID54717823
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
SMILESCC(O)Cc1c(O)c2cccnc2n(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-9(22)7-12-15(23)11-3-2-6-20-16(11)21(17(12)24)10-4-5-13(18)14(19)8-10/h2-6,8-9,22-23H,7H2,1H3
InChIKeyGUBSCLFGBKQPKT-UHFFFAOYSA-N
XLogP3.32
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one (CID 54717823) is 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one is CC(O)Cc1c(O)c2cccnc2n(-c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The InChIKey is GUBSCLFGBKQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-9(22)7-12-15(23)11-3-2-6-20-16(11)21(17(12)24)10-4-5-13(18)14(19)8-10/h2-6,8-9,22-23H,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one has a molecular weight of 365.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 54717823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).