2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

C19H18ClFN2O3 — CID 54681837

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1c(C2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H18ClFN2O3/c1-22-16(11-3-4-11)12-6-7-23(18(25)15(12)17(24)19(22)26)9-10-2-5-14(21)13(20)8-10/h2,5,8,11,24H,3-4,6-7,9H2,1H3
InChIKeyXYGLCGXRYRGYAO-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.96
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 54681837) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID54681837
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1c(C2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H18ClFN2O3/c1-22-16(11-3-4-11)12-6-7-23(18(25)15(12)17(24)19(22)26)9-10-2-5-14(21)13(20)8-10/h2,5,8,11,24H,3-4,6-7,9H2,1H3
InChIKeyXYGLCGXRYRGYAO-UHFFFAOYSA-N
XLogP2.96
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 54681837) is 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is Cn1c(C2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is XYGLCGXRYRGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-22-16(11-3-4-11)12-6-7-23(18(25)15(12)17(24)19(22)26)9-10-2-5-14(21)13(20)8-10/h2,5,8,11,24H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 376.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 54681837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).