phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C19H20F2N2O4 — CID 118037025

IUPACphenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Oc1ccccc1
InChIInChI=1S/C19H20F2N2O4/c1-25-18(26-2)15-14(16(20)21)11-12-7-6-10-23(17(12)22-15)19(24)27-13-8-4-3-5-9-13/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3
InChIKeyYQWJTPYXNRXPKL-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.26
Rot. Bonds5

About phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 118037025) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID118037025
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Namephenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Oc1ccccc1
InChIInChI=1S/C19H20F2N2O4/c1-25-18(26-2)15-14(16(20)21)11-12-7-6-10-23(17(12)22-15)19(24)27-13-8-4-3-5-9-13/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3
InChIKeyYQWJTPYXNRXPKL-UHFFFAOYSA-N
XLogP4.26
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518
phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036356
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 131734776
diphenyl diazinane-1,2-dicarboxylate
CID 139696788
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101115959
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
phenyl 2-oxo-1,3-diazepane-1-carboxylate
CID 58856696
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098

Frequently Asked Questions

What is the IUPAC name of phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 118037025) is phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is YQWJTPYXNRXPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-25-18(26-2)15-14(16(20)21)11-12-7-6-10-23(17(12)22-15)19(24)27-13-8-4-3-5-9-13/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3.
What are the key properties of phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 118037025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).