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

C25H30N4O3 — CID 138579956

IUPACN-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(C)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C25H30N4O3/c1-16-11-20(23-15-26-17(2)32-23)12-19-13-24(27-14-22(16)19)28-25(30)18-3-5-21(6-4-18)29-7-9-31-10-8-29/h11-15,18,21H,3-10H2,1-2H3,(H,27,28,30)
InChIKeyIKFMDWQJCDUYAI-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.34
Rot. Bonds4

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

N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 138579956) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID138579956
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1ncc(-c2cc(C)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1
InChIInChI=1S/C25H30N4O3/c1-16-11-20(23-15-26-17(2)32-23)12-19-13-24(27-14-22(16)19)28-25(30)18-3-5-21(6-4-18)29-7-9-31-10-8-29/h11-15,18,21H,3-10H2,1-2H3,(H,27,28,30)
InChIKeyIKFMDWQJCDUYAI-UHFFFAOYSA-N
XLogP4.34
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 138559127
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
CID 138590666
N-[3-(2-methyl-1,3-oxazol-4-yl)-1,7-naphthyridin-6-yl]-4-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 138588117
N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-4-[methyl(oxetan-3-yl)amino]cyclohexane-1-carboxamide
CID 138605012
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138587578
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138586932
4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (CID 138579956) is N-[8-methyl-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-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is Cc1ncc(-c2cc(C)c3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)o1.
What is the InChIKey of N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is IKFMDWQJCDUYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-11-20(23-15-26-17(2)32-23)12-19-13-24(27-14-22(16)19)28-25(30)18-3-5-21(6-4-18)29-7-9-31-10-8-29/h11-15,18,21H,3-10H2,1-2H3,(H,27,28,30).
What are the key properties of N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138579956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).