2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

C19H17Cl2FN4O — CID 19592924

IUPAC2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C19H17Cl2FN4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(22)10-16(18)26-19(27)17-13(20)3-2-4-14(17)21/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyIFGFPYNVIJACKC-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.56
Rot. Bonds6

About 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (PubChem CID 19592924) has the molecular formula C19H17Cl2FN4O and a molecular weight of 407.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
PubChem CID19592924
Molecular FormulaC19H17Cl2FN4O
Molecular Weight407.28 g/mol
Exact Mass406.08
IUPAC Name2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C19H17Cl2FN4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(22)10-16(18)26-19(27)17-13(20)3-2-4-14(17)21/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyIFGFPYNVIJACKC-UHFFFAOYSA-N
XLogP4.56
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (CID 19592924) is 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is CNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12.
What is the InChIKey of 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The InChIKey is IFGFPYNVIJACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(22)10-16(18)26-19(27)17-13(20)3-2-4-14(17)21/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide has a molecular weight of 407.28 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is sourced from PubChem (CID 19592924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).