2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C22H23ClFN3O3 — CID 178085740

IUPAC2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CCC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.COc1cccc(F)c1Cl
InChIInChI=1S/C15H17N3O2.C7H6ClFO/c1-8-2-3-9(6-8)11-7-12(19)13-10(18-11)4-5-17-14(13)15(16)20;1-10-6-4-2-3-5(9)7(6)8/h4-5,7-9H,2-3,6H2,1H3,(H2,16,20)(H,18,19);2-4H,1H3
InChIKeyLRDWNULKRIVJEK-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 178085740) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID178085740
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CCC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.COc1cccc(F)c1Cl
InChIInChI=1S/C15H17N3O2.C7H6ClFO/c1-8-2-3-9(6-8)11-7-12(19)13-10(18-11)4-5-17-14(13)15(16)20;1-10-6-4-2-3-5(9)7(6)8/h4-5,7-9H,2-3,6H2,1H3,(H2,16,20)(H,18,19);2-4H,1H3
InChIKeyLRDWNULKRIVJEK-UHFFFAOYSA-N
XLogP4.41
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192269
2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193358
2-[(1S,2S,4R)-2-(3-chloro-4-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085538
2-[(1S,2S,4R)-2-(2-ethyl-3,4-difluorophenyl)-4-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192627
2-[3-(2-cyclopropyl-3,4-difluorophenyl)-5-methyloxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996323
1-chloro-2,3-difluorobenzene;2-[(2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192499
1-chloro-2,3-difluorobenzene;2-[(2S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192326
1,2-difluoro-3-methylbenzene;2-[(1S,4R)-4-ethyl-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192813
1-chloro-2,3-difluorobenzene;2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193228
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193205
4-oxo-2-[3-(2,2,2-trifluoroethyl)cyclohexyl]-1H-1,6-naphthyridine-5-carboxamide
CID 177193045
2-[(2S,3R,4R,5S)-3-(3-cyclopropyl-4-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 176996253

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 178085740) is 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC1CCC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.COc1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is LRDWNULKRIVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C7H6ClFO/c1-8-2-3-9(6-8)11-7-12(19)13-10(18-11)4-5-17-14(13)15(16)20;1-10-6-4-2-3-5(9)7(6)8/h4-5,7-9H,2-3,6H2,1H3,(H2,16,20)(H,18,19);2-4H,1H3.
What are the key properties of 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 178085740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).