N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

C24H27FN4O3 — CID 138559110

IUPACN-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C24H27FN4O3/c1-15-26-14-22(32-15)18-10-17-12-23(27-13-20(17)21(25)11-18)28-24(30)16-2-4-19(5-3-16)29-6-8-31-9-7-29/h10-14,16,19H,2-9H2,1H3,(H,27,28,30)
InChIKeyRBNPUQBORNDYLK-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.17
Rot. Bonds4

About N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 138559110) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID138559110
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C24H27FN4O3/c1-15-26-14-22(32-15)18-10-17-12-23(27-13-20(17)21(25)11-18)28-24(30)16-2-4-19(5-3-16)29-6-8-31-9-7-29/h10-14,16,19H,2-9H2,1H3,(H,27,28,30)
InChIKeyRBNPUQBORNDYLK-UHFFFAOYSA-N
XLogP4.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (CID 138559110) is N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is Cc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1.
What is the InChIKey of N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is RBNPUQBORNDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15-26-14-22(32-15)18-10-17-12-23(27-13-20(17)21(25)11-18)28-24(30)16-2-4-19(5-3-16)29-6-8-31-9-7-29/h10-14,16,19H,2-9H2,1H3,(H,27,28,30).
What are the key properties of N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138559110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).