2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide

C21H16Cl2N4O2 — CID 19592781

IUPAC2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1cccn1
InChIInChI=1S/C21H16Cl2N4O2/c1-29-12-13-11-24-19-14(20(13)27-10-4-9-25-27)5-2-8-17(19)26-21(28)18-15(22)6-3-7-16(18)23/h2-11H,12H2,1H3,(H,26,28)
InChIKeyORTYRCKWPIWPOP-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.13
Rot. Bonds5

About 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide

2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide (PubChem CID 19592781) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
PubChem CID19592781
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1cccn1
InChIInChI=1S/C21H16Cl2N4O2/c1-29-12-13-11-24-19-14(20(13)27-10-4-9-25-27)5-2-8-17(19)26-21(28)18-15(22)6-3-7-16(18)23/h2-11H,12H2,1H3,(H,26,28)
InChIKeyORTYRCKWPIWPOP-UHFFFAOYSA-N
XLogP5.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
CID 139782449
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592451
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
CID 19592874
tert-butyl N-[8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinolin-3-yl]carbamate
CID 19592482
2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide
CID 19592849

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide (CID 19592781) is 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide is COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1cccn1.
What is the InChIKey of 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide?
The InChIKey is ORTYRCKWPIWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-29-12-13-11-24-19-14(20(13)27-10-4-9-25-27)5-2-8-17(19)26-21(28)18-15(22)6-3-7-16(18)23/h2-11H,12H2,1H3,(H,26,28).
What are the key properties of 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide?
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide has a molecular weight of 427.29 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide is sourced from PubChem (CID 19592781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).