4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide

C19H18FN5O3 — CID 25183271

IUPAC4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ccc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyFGOCJZANGVRDDB-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.32
Rot. Bonds5

About 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide (PubChem CID 25183271) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide
PubChem CID25183271
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ccc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyFGOCJZANGVRDDB-UHFFFAOYSA-N
XLogP2.32
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide (CID 25183271) is 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide is COc1ccc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide?
The InChIKey is FGOCJZANGVRDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2,6-dimethoxy-3-pyridinyl)-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 25183271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).