1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

C19H24FN3O3 — CID 118414584

IUPAC1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OCC3(F)CCNCC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H24FN3O3/c1-12(2)26-16-10-14-13(9-15(16)17(21)24)3-6-23-18(14)25-11-19(20)4-7-22-8-5-19/h3,6,9-10,12,22H,4-5,7-8,11H2,1-2H3,(H2,21,24)
InChIKeyHTZZCVHWGLAOEM-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.59
Rot. Bonds6

About 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 118414584) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID118414584
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(OCC3(F)CCNCC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H24FN3O3/c1-12(2)26-16-10-14-13(9-15(16)17(21)24)3-6-23-18(14)25-11-19(20)4-7-22-8-5-19/h3,6,9-10,12,22H,4-5,7-8,11H2,1-2H3,(H2,21,24)
InChIKeyHTZZCVHWGLAOEM-UHFFFAOYSA-N
XLogP2.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 118414584) is 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(OCC3(F)CCNCC3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is HTZZCVHWGLAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12(2)26-16-10-14-13(9-15(16)17(21)24)3-6-23-18(14)25-11-19(20)4-7-22-8-5-19/h3,6,9-10,12,22H,4-5,7-8,11H2,1-2H3,(H2,21,24).
What are the key properties of 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoropiperidin-4-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 118414584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).