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

C22H25FN4O2 — CID 138559074

IUPAC4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N(C)C)CC4)cc3c2)o1
InChIInChI=1S/C22H25FN4O2/c1-13-24-12-20(29-13)16-8-15-10-21(25-11-18(15)19(23)9-16)26-22(28)14-4-6-17(7-5-14)27(2)3/h8-12,14,17H,4-7H2,1-3H3,(H,25,26,28)
InChIKeyQDYPBQWTUXKWSY-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.40
Rot. Bonds4

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

4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138559074) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
PubChem CID138559074
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N(C)C)CC4)cc3c2)o1
InChIInChI=1S/C22H25FN4O2/c1-13-24-12-20(29-13)16-8-15-10-21(25-11-18(15)19(23)9-16)26-22(28)14-4-6-17(7-5-14)27(2)3/h8-12,14,17H,4-7H2,1-3H3,(H,25,26,28)
InChIKeyQDYPBQWTUXKWSY-UHFFFAOYSA-N
XLogP4.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide (CID 138559074) is 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide is Cc1ncc(-c2cc(F)c3cnc(NC(=O)C4CCC(N(C)C)CC4)cc3c2)o1.
What is the InChIKey of 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is QDYPBQWTUXKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13-24-12-20(29-13)16-8-15-10-21(25-11-18(15)19(23)9-16)26-22(28)14-4-6-17(7-5-14)27(2)3/h8-12,14,17H,4-7H2,1-3H3,(H,25,26,28).
What are the key properties of 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138559074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).