N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide

C21H18FN3O3 — CID 22936295

IUPACN-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1C(=O)NCCF
InChIInChI=1S/C21H18FN3O3/c1-27-20-12-18-15(11-16(20)21(26)25-9-6-22)19(5-8-24-18)28-14-2-3-17-13(10-14)4-7-23-17/h2-5,7-8,10-12,23H,6,9H2,1H3,(H,25,26)
InChIKeyMKNYDMSYLOCQAQ-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.22
Rot. Bonds6

About N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide

N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 22936295) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide
PubChem CID22936295
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1C(=O)NCCF
InChIInChI=1S/C21H18FN3O3/c1-27-20-12-18-15(11-16(20)21(26)25-9-6-22)19(5-8-24-18)28-14-2-3-17-13(10-14)4-7-23-17/h2-5,7-8,10-12,23H,6,9H2,1H3,(H,25,26)
InChIKeyMKNYDMSYLOCQAQ-UHFFFAOYSA-N
XLogP4.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide (CID 22936295) is N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4[nH]ccc4c3)c2cc1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is MKNYDMSYLOCQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-27-20-12-18-15(11-16(20)21(26)25-9-6-22)19(5-8-24-18)28-14-2-3-17-13(10-14)4-7-23-17/h2-5,7-8,10-12,23H,6,9H2,1H3,(H,25,26).
What are the key properties of N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide?
N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).