4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide

C18H14FN5O2 — CID 139030520

IUPAC4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(C(N)=O)cnc12
InChIInChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24)
InChIKeyRFCJOYPMBVRHBV-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.61
Rot. Bonds3

About 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide

4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide (PubChem CID 139030520) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide
PubChem CID139030520
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(C(N)=O)cnc12
InChIInChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24)
InChIKeyRFCJOYPMBVRHBV-UHFFFAOYSA-N
XLogP2.61
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide (CID 139030520) is 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide is COc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(C(N)=O)cnc12.
What is the InChIKey of 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The InChIKey is RFCJOYPMBVRHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24).
What are the key properties of 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 139030520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).