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

C17H16ClFN2O3 — CID 69060305

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCOc1c2c(cn(C)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O
InChIInChI=1S/C17H16ClFN2O3/c1-20-9-11-5-6-21(8-10-3-4-13(19)12(18)7-10)16(22)14(11)15(24-2)17(20)23/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyKDJBTEMBQRIWBK-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.38
Rot. Bonds3

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

2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 69060305) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID69060305
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCOc1c2c(cn(C)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O
InChIInChI=1S/C17H16ClFN2O3/c1-20-9-11-5-6-21(8-10-3-4-13(19)12(18)7-10)16(22)14(11)15(24-2)17(20)23/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyKDJBTEMBQRIWBK-UHFFFAOYSA-N
XLogP2.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 69060305) is 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is COc1c2c(cn(C)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is KDJBTEMBQRIWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-20-9-11-5-6-21(8-10-3-4-13(19)12(18)7-10)16(22)14(11)15(24-2)17(20)23/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 350.78 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 69060305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).