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

C20H22N4O2 — CID 138559188

IUPAC4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)C4CCC(N)CC4)cc3c2)o1
InChIInChI=1S/C20H22N4O2/c1-12-22-11-18(26-12)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)13-4-6-17(21)7-5-13/h2-3,8-11,13,17H,4-7,21H2,1H3,(H,23,24,25)
InChIKeyXPAJJLIVOPQINY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.65
Rot. Bonds3

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

4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138559188) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
PubChem CID138559188
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)C4CCC(N)CC4)cc3c2)o1
InChIInChI=1S/C20H22N4O2/c1-12-22-11-18(26-12)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)13-4-6-17(21)7-5-13/h2-3,8-11,13,17H,4-7,21H2,1H3,(H,23,24,25)
InChIKeyXPAJJLIVOPQINY-UHFFFAOYSA-N
XLogP3.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234
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)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138605092
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587469
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-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138579956
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138587043
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-morpholin-2-ylpropanamide
CID 175342460
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
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide (CID 138559188) is 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)C4CCC(N)CC4)cc3c2)o1.
What is the InChIKey of 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is XPAJJLIVOPQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-22-11-18(26-12)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)13-4-6-17(21)7-5-13/h2-3,8-11,13,17H,4-7,21H2,1H3,(H,23,24,25).
What are the key properties of 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide?
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138559188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).