6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione

C24H20ClFN4O5 — CID 165141279

IUPAC6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione
SMILESCOc1cccc(F)c1-c1nc2c(cc1Cl)C(=O)C([N+](=O)[O-])C(=O)N2c1c(C)ccnc1C(C)C
InChIInChI=1S/C24H20ClFN4O5/c1-11(2)18-20(12(3)8-9-27-18)29-23-13(22(31)21(24(29)32)30(33)34)10-14(25)19(28-23)17-15(26)6-5-7-16(17)35-4/h5-11,21H,1-4H3
InChIKeyIJALWCMCZAPKPT-UHFFFAOYSA-N
MW498.90 g/mol
LogP4.88
Rot. Bonds5

About 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione

6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione (PubChem CID 165141279) has the molecular formula C24H20ClFN4O5 and a molecular weight of 498.90 g/mol. Its IUPAC name is 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione
PubChem CID165141279
Molecular FormulaC24H20ClFN4O5
Molecular Weight498.90 g/mol
Exact Mass498.11
IUPAC Name6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione
SMILESCOc1cccc(F)c1-c1nc2c(cc1Cl)C(=O)C([N+](=O)[O-])C(=O)N2c1c(C)ccnc1C(C)C
InChIInChI=1S/C24H20ClFN4O5/c1-11(2)18-20(12(3)8-9-27-18)29-23-13(22(31)21(24(29)32)30(33)34)10-14(25)19(28-23)17-15(26)6-5-7-16(17)35-4/h5-11,21H,1-4H3
InChIKeyIJALWCMCZAPKPT-UHFFFAOYSA-N
XLogP4.88
TPSA115.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.90
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-3-nitroquinoline-2,4-dione;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)quinoline-2,4-dione
CID 167558531
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732200
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175891247
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trideuteriomethyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732222
2-[[3-amino-6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]amino]ethyl carbamate
CID 175483215
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
CID 156732214
methyl 5-chloro-6-(2-fluoro-6-methoxyphenyl)-2-[[4-methyl-2-(2-propan-2-ylphenyl)-3-pyridinyl]amino]pyridine-3-carboxylate;methyl 5-chloro-6-(2-fluoro-6-methoxyphenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 175844267
(3R,6R)-4-[6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-methoxyphenyl)-3-nitro-2-oxo-1,8-naphthyridin-4-yl]-6-methylpiperazine-1,3-dicarboxylic acid
CID 175187746
tert-butyl (4R,7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-4,9-dimethyl-12-(4-methylsulfanyl-2-propan-2-yl-3-pyridinyl)-8,11-dioxo-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-5-carboxylate
CID 162732843
tert-butyl (2R,5R)-4-[6-fluoro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-2-oxo-1,8-naphthyridin-4-yl]-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 156732283
6-fluoro-7-[2-fluoro-6-(2-methoxyethoxy)phenyl]-4-[(2S)-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2H-pyrido[2,3-d]pyrimidine
CID 175832754
(4R,7R)-16-chloro-14-fluoro-15-(2-fluoro-6-methoxyphenyl)-4-methyl-9-(1-methylazetidin-3-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 170017957

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione?
The IUPAC name of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione (CID 165141279) is 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione is COc1cccc(F)c1-c1nc2c(cc1Cl)C(=O)C([N+](=O)[O-])C(=O)N2c1c(C)ccnc1C(C)C.
What is the InChIKey of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione?
The InChIKey is IJALWCMCZAPKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O5/c1-11(2)18-20(12(3)8-9-27-18)29-23-13(22(31)21(24(29)32)30(33)34)10-14(25)19(28-23)17-15(26)6-5-7-16(17)35-4/h5-11,21H,1-4H3.
What are the key properties of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione?
6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione has a molecular weight of 498.90 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 165141279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).