[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid

C23H18Cl2N4O3 — CID 23160257

IUPAC[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CNC(=O)O)cc3)cc21
InChIInChI=1S/C23H18Cl2N4O3/c1-29-19-10-20(28-15-7-5-13(6-8-15)11-27-23(31)32)26-12-14(19)9-16(22(29)30)21-17(24)3-2-4-18(21)25/h2-10,12,27H,11H2,1H3,(H,26,28)(H,31,32)
InChIKeyNURXOBGHOPHPKC-UHFFFAOYSA-N
MW469.33 g/mol
LogP5.42
Rot. Bonds5

About [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid

[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid (PubChem CID 23160257) has the molecular formula C23H18Cl2N4O3 and a molecular weight of 469.33 g/mol. Its IUPAC name is [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid
PubChem CID23160257
Molecular FormulaC23H18Cl2N4O3
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC Name[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CNC(=O)O)cc3)cc21
InChIInChI=1S/C23H18Cl2N4O3/c1-29-19-10-20(28-15-7-5-13(6-8-15)11-27-23(31)32)26-12-14(19)9-16(22(29)30)21-17(24)3-2-4-18(21)25/h2-10,12,27H,11H2,1H3,(H,26,28)(H,31,32)
InChIKeyNURXOBGHOPHPKC-UHFFFAOYSA-N
XLogP5.42
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.33
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid with MolForge

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Related Compounds

3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
CID 22124831
3-(2,6-dichlorophenyl)-7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
CID 22124644
3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
CID 5328705
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
7-anilino-3-(2,6-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one
CID 5328729
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
CID 22124768
3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 165057275
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid
CID 11690310

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid?
The IUPAC name of [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid (CID 23160257) is [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CNC(=O)O)cc3)cc21.
What is the InChIKey of [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid?
The InChIKey is NURXOBGHOPHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3/c1-29-19-10-20(28-15-7-5-13(6-8-15)11-27-23(31)32)26-12-14(19)9-16(22(29)30)21-17(24)3-2-4-18(21)25/h2-10,12,27H,11H2,1H3,(H,26,28)(H,31,32).
What are the key properties of [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid?
[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid has a molecular weight of 469.33 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid is sourced from PubChem (CID 23160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).